data_1ujx_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 1ujx _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 mt . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.527 ' CZ2' ' HB3' ' A' ' 112' ' ' ARG . 50.8 p-90 -166.83 169.29 13.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 108.012 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.1 mt -112.55 141.9 45.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.274 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 107.43 2.48 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 mp -80.41 134.54 27.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -96.25 104.22 16.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.459 ' HB2' ' CB ' ' A' ' 62' ' ' ALA . 2.4 mt -53.36 153.88 6.68 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 123.77 8.14 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.475 1.776 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.408 ' C ' ' N ' ' A' ' 35' ' ' GLY . 90.3 p -79.59 -31.22 41.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.974 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -45.69 -26.29 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 33' ' ' SER . . . 115.41 -5.7 21.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -53.39 175.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 0.0 110.257 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.502 ' HB3' ' CG1' ' A' ' 61' ' ' ILE . . . -119.2 120.56 37.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.264 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 tp -93.99 101.64 13.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.47 ' CG1' ' HA ' ' A' ' 56' ' ' ASN . 1.7 t -72.62 126.92 34.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.3 mt -107.88 155.22 20.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.458 ' HA2' ' CD2' ' A' ' 102' ' ' LEU . . . 162.43 -153.6 24.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -64.01 139.51 58.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 110.332 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.84 -172.33 22.64 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.459 1.099 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -9.67 20.9 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.523 1.801 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mp -52.63 -60.89 2.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 61.2 p -114.9 7.42 15.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.434 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 65.6 20.27 11.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 16.0 t -83.52 129.86 36.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.5 p -129.86 28.62 5.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.419 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -92.6 125.28 37.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -29.51 44.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.403 ' O ' ' OD1' ' A' ' 77' ' ' ASN . 29.9 mmtt -62.34 -22.13 65.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.433 ' SG ' ' CD2' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -90.82 140.05 30.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 108.274 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -112.9 138.21 50.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 110.007 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.1 OUTLIER -38.39 -35.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.47 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.5 p30 -124.29 59.23 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -63.61 -47.05 83.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 110.344 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -146.16 167.74 7.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.481 ' HB2' ' CD1' ' A' ' 74' ' ' LEU . 6.5 tt0 -121.27 109.31 14.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 mp -93.4 141.28 28.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.502 ' CG1' ' HB3' ' A' ' 37' ' ' ALA . 21.2 mt -138.72 120.36 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.459 ' CB ' ' HB2' ' A' ' 31' ' ' LEU . . . -74.8 118.4 17.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -115.94 88.06 20.45 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.31 9.07 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.503 1.791 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.31 -38.05 89.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.254 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.5 m -144.05 29.4 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.028 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.16 55.78 8.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.269 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.8 p -134.89 175.25 9.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.9 t -148.21 132.27 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.25 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -93.59 140.61 29.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 94.4 t -128.04 130.97 69.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.9 ttpt -133.61 124.14 26.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -79.12 120.13 23.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.481 ' CD1' ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -117.8 2.21 12.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -97.36 -148.17 23.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -118.73 -45.63 3.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 52' ' ' LYS . 2.2 m120 -62.2 138.28 96.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.257 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 122.64 7.36 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.537 1.809 . . . . 0.0 111.025 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -93.34 159.32 15.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.971 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.0 m -120.65 123.15 42.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.414 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.473 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 4.0 t -103.26 78.01 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 100.54 -93.6 1.21 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.4 p -134.18 16.99 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.766 . . . . 0.0 109.373 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.403 ' HG3' ' N ' ' A' ' 85' ' ' GLU . 1.9 tt0 -125.4 136.72 53.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 84' ' ' GLN . 1.0 OUTLIER -82.18 142.85 31.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.471 ' CD1' HG21 ' A' ' 81' ' ' VAL . 11.0 mt -101.33 -173.83 2.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.02 171.56 7.41 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 114.01 3.92 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.494 1.787 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.59 2.11 61.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.445 1.091 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.1 tp -84.34 -178.86 7.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.13 141.62 12.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.058 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -140.63 -168.04 11.25 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.5 p -131.76 151.87 51.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.756 . . . . 0.0 109.993 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.17 130.18 50.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -94.57 165.41 12.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.413 ' CD1' ' HB3' ' A' ' 113' ' ' TRP . 4.3 mt -60.9 108.17 0.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 115.48 -28.03 8.08 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -56.93 154.48 9.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.289 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.422 HG11 ' N ' ' A' ' 100' ' ' LEU . 55.8 t -105.34 160.2 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.422 ' N ' HG11 ' A' ' 99' ' ' VAL . 29.7 tp -141.08 84.29 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.44 ' O ' ' C ' ' A' ' 102' ' ' LEU . 95.2 m-85 -62.21 99.99 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.458 ' CD2' ' HA2' ' A' ' 41' ' ' GLY . 0.1 OUTLIER -36.74 -59.52 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.444 ' CG2' ' N ' ' A' ' 104' ' ' ASN . 3.3 p -163.33 167.73 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.444 ' N ' ' CG2' ' A' ' 103' ' ' VAL . 0.6 OUTLIER 50.72 30.42 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.403 ' O ' ' CD1' ' A' ' 101' ' ' TYR . . . 50.97 20.59 4.49 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 66.9 mt -114.7 -171.91 2.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.446 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 14.9 m-85 43.87 61.78 10.17 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.446 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.2 Cg_endo -75.01 139.53 24.35 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.532 1.806 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.455 HD21 ' CD1' ' A' ' 102' ' ' LEU . 3.6 mm? -117.13 103.29 10.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 61.3 m -76.72 125.5 29.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 110.406 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 18.8 tp -81.87 128.82 34.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.527 ' HB3' ' CZ2' ' A' ' 18' ' ' TRP . 23.8 mmt180 -133.5 155.61 49.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.351 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.447 ' CD1' ' C ' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -129.32 133.58 47.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 108.018 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.445 ' N ' ' HE1' ' A' ' 18' ' ' TRP . 24.9 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 41.1 p-90 -167.05 171.32 11.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 108.016 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.3 mt -110.14 144.78 38.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.342 179.949 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.912 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 105.01 2.0 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.52 1.8 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.4 mp -78.85 129.35 37.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -98.74 115.38 28.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.456 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -68.57 164.7 42.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.418 ' O ' ' CB ' ' A' ' 62' ' ' ALA . 18.2 Cg_endo -74.95 173.69 14.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.792 . . . . 0.0 111.021 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.1 p -120.84 -38.22 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -48.17 -30.65 4.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.22 -1.57 7.15 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -49.48 172.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 110.351 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.496 ' HB2' ' CG1' ' A' ' 61' ' ' ILE . . . -124.62 118.93 27.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 60' ' ' LEU . 8.7 tp -90.99 109.21 20.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.093 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.474 ' CG1' ' HA ' ' A' ' 56' ' ' ASN . 1.8 t -80.41 133.29 29.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.3 mt -116.54 156.78 26.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.249 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.37 -160.85 33.08 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.458 1.099 . . . . 0.0 111.004 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -53.51 144.1 17.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 0.788 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 127.2 -171.37 18.76 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -3.25 13.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.486 1.782 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 45' ' ' LEU . 4.3 mm? -58.99 -61.37 2.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.3 p -115.39 7.68 15.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.429 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 64.82 20.19 12.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 8.8 t -83.05 133.81 28.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.1 p -116.82 -12.1 10.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.447 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -53.41 128.02 27.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -59.28 -47.65 84.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -46.64 -27.61 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.54 113.87 18.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 108.307 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.24 139.09 31.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.3 mtt-85 -38.48 -34.14 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.474 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.9 m120 -124.39 58.95 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.085 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 38.0 tp60 -65.79 -48.34 72.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.1 m -138.32 170.63 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.474 ' CG ' ' HB2' ' A' ' 37' ' ' ALA . 16.3 tt0 -128.82 108.09 10.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.445 HD23 ' CD2' ' A' ' 100' ' ' LEU . 3.3 mp -92.75 139.86 30.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.496 ' CG1' ' HB2' ' A' ' 37' ' ' ALA . 24.2 mt -134.29 125.88 48.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.451 ' CB ' ' HB2' ' A' ' 31' ' ' LEU . . . -75.62 125.79 29.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.63 86.57 52.69 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -3.33 13.77 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.57 1.826 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -64.88 -50.89 64.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.55 36.9 4.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.529 ' NH1' ' CZ2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER 41.69 54.94 3.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.9 p -133.0 177.45 7.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.479 HG21 ' CD1' ' A' ' 111' ' ' LEU . 95.0 t -150.11 125.91 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -86.02 145.34 27.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.5 t -130.71 138.89 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -139.99 120.42 14.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.419 ' NE2' ' CA ' ' A' ' 88' ' ' PRO . 36.9 tt0 -78.28 113.71 16.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -107.93 3.24 23.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.1 -147.4 22.58 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 p -120.29 -47.88 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 0.773 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -62.69 139.84 97.02 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 124.74 8.84 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.465 1.771 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 86' ' ' LEU . 9.9 m -93.17 159.07 15.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.9 m -117.1 122.71 44.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.43 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.407 HG12 ' CD1' ' A' ' 94' ' ' LEU . 39.3 t -103.15 89.01 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.53 -92.79 1.75 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.498 1.123 . . . . 0.0 110.967 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.6 p -131.47 19.9 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.53 0.782 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -125.1 146.27 49.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.22 139.21 31.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 79' ' ' SER . 10.7 mt -102.65 -172.91 2.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -143.67 170.55 8.3 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.419 ' CA ' ' NE2' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -75.01 96.23 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 116.77 -0.63 19.94 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.3 tp -85.23 -178.23 6.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.753 . . . . 0.0 109.286 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.46 143.52 14.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -143.63 -167.93 11.97 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.34 153.92 49.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 110.002 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.407 ' CD1' HG12 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -124.37 129.3 50.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 m -96.33 148.59 22.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 110.028 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 113' ' ' TRP . 5.9 mt -43.86 110.46 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.409 1.068 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 112.29 -39.74 2.77 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -46.2 148.61 0.85 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 0.73 . . . . 0.0 109.255 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 100' ' ' LEU . 55.5 t -97.32 160.69 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.445 ' CD2' HD23 ' A' ' 60' ' ' LEU . 52.4 tp -142.97 84.83 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.439 ' O ' ' C ' ' A' ' 102' ' ' LEU . 95.3 m-85 -62.53 99.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.462 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -37.15 -59.89 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.2 p -161.24 178.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 42.44 32.3 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 49.84 20.59 3.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 41.5 mt -119.7 -170.97 2.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 0.744 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.475 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 2.7 m-85 48.62 60.3 15.75 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.475 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.4 Cg_endo -75.02 130.61 13.41 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.467 1.772 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.462 ' CD2' HD12 ' A' ' 102' ' ' LEU . 4.0 mm? -108.6 98.29 7.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 97.6 m -69.86 125.31 26.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 110.388 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.479 ' CD1' HG21 ' A' ' 69' ' ' VAL . 38.0 tp -82.62 126.01 31.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -124.65 162.73 23.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.57 ' CD1' ' O ' ' A' ' 114' ' ' SER . 7.6 t-105 -123.14 138.79 54.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 108.009 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.57 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.004 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.445 ' CE3' ' HB2' ' A' ' 28' ' ' PRO . 50.1 p-90 -166.92 157.01 11.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 108.032 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.48 HD22 ' CD2' ' A' ' 31' ' ' LEU . 0.7 OUTLIER -96.04 143.34 27.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.923 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . 0.445 ' HB2' ' CE3' ' A' ' 18' ' ' TRP . 18.3 Cg_endo -74.94 105.37 2.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.463 1.77 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 mp -78.63 141.3 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -104.29 114.21 28.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.48 ' CD2' HD22 ' A' ' 19' ' ' LEU . 2.0 mt -64.53 160.44 52.08 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 124.48 8.64 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.3 m -78.43 -22.94 46.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.555 1.16 . . . . 0.0 110.009 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.01 -34.02 58.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.12 -11.08 6.19 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.513 1.133 . . . . 0.0 110.958 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -48.57 168.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 0.752 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.505 ' HB2' ' CG1' ' A' ' 61' ' ' ILE . . . -117.1 122.36 43.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.3 tp -92.28 99.64 12.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.5 t -70.61 116.97 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.45 173.34 7.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 140.14 -162.59 26.4 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -53.95 143.25 22.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 0.733 . . . . 0.0 110.289 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.51 -179.1 18.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.499 1.125 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.14 9.59 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mp -59.96 -60.36 3.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.475 ' OG1' ' CG2' ' A' ' 48' ' ' VAL . 43.5 p -114.62 8.33 16.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.435 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 66.99 15.97 10.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.475 ' CG2' ' OG1' ' A' ' 46' ' ' THR . 57.4 t -74.66 126.42 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 40.7 p -127.56 33.27 4.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -97.26 132.12 43.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.99 -31.18 72.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -62.91 -15.93 57.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.85 136.71 32.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 108.286 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -108.38 134.56 51.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.986 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.58 -31.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.247 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 54' ' ' SER . 1.1 p30 -126.21 56.43 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -61.79 -46.09 91.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.337 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.3 m -145.6 157.52 12.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.486 ' CG ' ' HB2' ' A' ' 37' ' ' ALA . 27.0 tt0 -113.55 99.62 7.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mp -80.72 141.61 34.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.505 ' CG1' ' HB2' ' A' ' 37' ' ' ALA . 90.6 mt -139.93 116.21 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.463 ' CB ' ' HB2' ' A' ' 31' ' ' LEU . . . -74.55 120.93 20.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.99 84.42 44.89 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.568 1.168 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 0.57 8.74 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -64.89 -42.78 94.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.314 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.25 16.62 4.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.97 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.571 ' CD ' ' CZ3' ' A' ' 113' ' ' TRP . 7.5 mmt-85 60.21 69.22 0.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.6 p -148.99 174.8 11.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.429 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 93.5 t -146.95 125.88 4.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -87.99 146.03 25.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 87.0 t -137.41 111.94 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -112.65 120.75 42.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -72.49 117.17 13.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.429 ' CD1' ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -119.51 8.06 11.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -101.0 -146.16 18.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -120.26 -51.34 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.449 0.735 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -63.52 141.38 97.87 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 126.83 10.23 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.468 1.773 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.0 m -97.61 159.25 15.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.1 m -119.04 108.23 14.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.402 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.484 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 8.1 t -87.38 73.41 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.361 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 105.05 -95.84 1.15 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.541 1.15 . . . . 0.0 110.993 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.1 p -132.43 16.62 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.435 0.727 . . . . 0.0 109.334 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -125.16 129.17 49.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.66 140.43 42.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.7 mt -101.6 -173.67 2.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.47 174.33 3.7 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 108.47 2.72 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.514 1.797 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.4 1.14 55.62 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.545 1.153 . . . . 0.0 111.021 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.1 tp -88.67 -176.85 5.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.7 t -156.26 171.36 20.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -160.63 -167.76 21.59 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.449 1.093 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 92.2 p -138.62 129.98 27.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 0.747 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.453 ' CD1' ' HB2' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -104.19 129.06 51.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 60.4 m -98.42 165.36 11.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.981 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.405 HD23 ' N ' ' A' ' 113' ' ' TRP . 4.6 mt -59.17 105.15 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 116.16 -28.12 7.78 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.529 1.143 . . . . 0.0 110.953 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -57.52 148.37 24.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.744 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.518 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 60.0 t -99.06 160.87 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.453 ' HB2' ' CD1' ' A' ' 94' ' ' LEU . 18.2 tp -140.62 84.38 1.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.42 ' O ' ' C ' ' A' ' 102' ' ' LEU . 95.0 m-85 -60.43 99.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 101' ' ' TYR . 0.1 OUTLIER -37.58 -58.27 0.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 9.1 p -163.2 172.88 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 43.2 36.41 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 46.84 22.89 1.28 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 30.0 mt -118.49 -171.41 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.46 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 3.6 m-85 43.0 60.77 10.22 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.518 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.02 138.85 23.53 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.509 1.794 . . . . 0.0 110.954 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -117.39 101.96 8.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 32.0 m -74.81 130.62 39.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.366 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 16.2 tp -83.19 134.94 34.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -139.53 151.79 46.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.571 ' CZ3' ' CD ' ' A' ' 67' ' ' ARG . 8.1 t-105 -110.57 141.87 43.17 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.022 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.433 ' CB ' ' O ' ' A' ' 29' ' ' ILE . 53.2 p-90 -166.39 157.04 12.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 107.96 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.474 ' CD2' HD23 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -94.0 144.88 25.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.268 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 110.979 -0.431 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 118.35 5.22 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.548 1.815 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.433 ' O ' ' CB ' ' A' ' 18' ' ' TRP . 2.7 mp -86.08 140.38 15.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . 0.426 ' N ' HG23 ' A' ' 29' ' ' ILE . 40.2 m-85 -104.3 107.22 18.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.474 HD23 ' CD2' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -63.61 164.0 17.93 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 152.49 40.63 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.515 1.798 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.4 m -102.16 -27.3 12.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.009 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -50.09 -36.85 31.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.62 -6.82 5.88 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.438 1.086 . . . . 0.0 111.034 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -51.21 -179.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 0.782 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.463 ' CB ' HG12 ' A' ' 61' ' ' ILE . . . -130.0 123.31 30.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.9 tp -92.88 106.79 18.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.476 ' CG1' ' HA ' ' A' ' 56' ' ' ASN . 2.0 t -70.88 121.38 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.08 173.56 7.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.96 -165.21 25.69 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.501 1.125 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -46.75 148.59 1.0 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 0.786 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.84 178.39 15.46 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.453 1.096 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -8.48 20.12 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.806 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.2 mp -57.68 -59.95 4.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.2 p -106.89 -2.65 21.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.366 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 65.9 29.08 10.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.7 t -90.93 133.35 32.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 50' ' ' ASP . 39.4 p -119.17 -33.25 4.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.426 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 49' ' ' THR . 49.2 t0 -39.04 123.62 1.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -58.02 -22.49 50.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.402 ' O ' ' CG ' ' A' ' 77' ' ' ASN . 57.1 mmtt -60.78 -15.28 28.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.426 ' SG ' ' CD2' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -96.71 140.99 30.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 108.31 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -116.18 138.56 51.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -38.94 -40.64 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.266 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.476 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 4.1 m-20 -117.77 58.06 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.4 ' NE2' ' O ' ' A' ' 77' ' ' ASN . 45.9 tp60 -63.12 -51.22 67.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.338 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.6 m -141.96 163.89 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.456 ' CG ' ' HB3' ' A' ' 37' ' ' ALA . 3.5 tt0 -115.39 107.13 14.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.37 144.01 26.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.349 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.463 HG12 ' CB ' ' A' ' 37' ' ' ALA . 69.5 mt -140.79 121.21 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 31' ' ' LEU . . . -78.85 118.87 21.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.78 86.43 30.22 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 0.31 9.06 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.491 1.785 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -47.63 84.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.72 31.84 2.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 109.951 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.608 ' CD ' ' CE3' ' A' ' 113' ' ' TRP . 6.5 mmt-85 50.71 67.41 0.94 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.464 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 6.8 p -146.16 177.26 9.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.437 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.464 ' CG2' ' O ' ' A' ' 68' ' ' THR . 99.6 t -155.64 141.67 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . 0.414 ' N ' HG12 ' A' ' 69' ' ' VAL . . . -103.2 144.84 30.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 86.0 t -132.95 114.5 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -116.61 119.09 34.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -74.97 112.29 11.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.43 ' CD1' ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -110.15 -5.28 15.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.241 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.12 -140.95 7.89 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.547 1.155 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -124.25 -53.08 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.442 ' CB ' HG22 ' A' ' 103' ' ' VAL . 3.1 m120 -53.86 137.26 55.26 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 124.67 8.81 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.492 1.785 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.8 m -95.01 159.2 15.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 110.042 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.2 m -122.43 108.51 13.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.417 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.6 t -89.47 83.57 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.3 -98.65 2.22 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.8 p -131.37 17.08 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.516 0.774 . . . . 0.0 109.223 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -125.15 132.33 53.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -75.88 145.08 40.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.0 mt -103.87 -172.52 2.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -144.21 171.68 6.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 114.39 4.01 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.5 1.79 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.84 2.12 61.34 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.2 tp -83.97 -179.77 7.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.82 132.51 6.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.033 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -130.69 -169.4 12.46 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.538 1.148 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 26.7 m -133.05 152.23 51.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 0.797 . . . . 0.0 109.977 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.42 ' CD1' ' HB2' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -125.67 133.45 52.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.102 . . . . 0.0 109.346 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 74.9 m -99.01 170.61 8.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.005 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.0 mt -65.83 103.19 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 119.53 -22.87 8.65 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.36 156.84 18.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.751 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.442 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 75.2 t -107.05 159.56 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.42 ' HB2' ' CD1' ' A' ' 94' ' ' LEU . 37.7 tp -141.08 84.27 1.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.434 ' O ' ' C ' ' A' ' 102' ' ' LEU . 97.6 m-85 -60.15 99.77 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.462 ' CD1' HD22 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -37.85 -58.22 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.442 HG22 ' CB ' ' A' ' 77' ' ' ASN . 10.8 p -163.46 172.54 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.412 ' C ' ' N ' ' A' ' 106' ' ' LEU . 0.4 OUTLIER 43.35 38.71 1.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 43.96 24.55 0.53 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.412 ' N ' ' C ' ' A' ' 104' ' ' ASN . 28.3 mt -119.62 -171.27 2.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.461 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 4.7 m-85 42.12 60.5 9.27 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.461 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.5 Cg_endo -74.97 132.98 16.07 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.547 1.814 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.462 HD22 ' CD1' ' A' ' 102' ' ' LEU . 3.8 mm? -112.03 103.72 11.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.9 m -78.26 128.69 34.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.428 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.463 HD21 ' CG2' ' A' ' 69' ' ' VAL . 27.5 tp -78.75 137.16 37.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -135.27 175.53 9.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.608 ' CE3' ' CD ' ' A' ' 67' ' ' ARG . 1.6 t-105 -148.04 128.07 13.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 0.0 108.0 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.571 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 10.8 t . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 41.3 p-90 -166.94 174.41 8.48 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.9 mt -114.31 143.95 44.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.922 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 104.99 2.0 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.2 mp -77.67 124.11 35.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.235 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -89.63 110.54 21.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 111.031 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.458 ' HB2' ' CB ' ' A' ' 62' ' ' ALA . 2.0 mt -62.13 161.33 24.68 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 126.62 10.08 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.522 1.801 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.2 m -86.22 -27.65 24.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.48 -38.66 63.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 138.65 -12.86 3.44 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -49.18 176.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.759 . . . . 0.0 110.271 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.49 ' HB3' ' CG1' ' A' ' 61' ' ' ILE . . . -125.34 125.97 44.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.1 tp -92.62 106.77 18.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.0 t -76.37 111.35 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.462 ' HG ' ' CG2' ' A' ' 46' ' ' THR . 1.4 mp -95.55 158.46 15.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 155.39 -155.47 26.28 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -61.13 142.97 56.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 0.794 . . . . 0.0 110.296 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 128.98 -170.32 20.15 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -1.76 11.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.779 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.429 ' N ' HD21 ' A' ' 45' ' ' LEU . 4.3 mm? -59.15 -61.8 2.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.462 ' CG2' ' HG ' ' A' ' 40' ' ' LEU . 69.6 p -117.51 9.79 13.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 64.93 18.35 11.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 54.5 t -81.63 134.39 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 48.2 p -130.05 28.21 5.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.374 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -88.94 127.95 35.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -54.17 -44.24 71.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -53.63 -28.41 32.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.44 124.1 28.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 108.278 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -102.43 141.17 35.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 54' ' ' SER . 18.3 mtp180 -38.19 -38.47 0.34 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.521 ' ND2' ' H ' ' A' ' 56' ' ' ASN . 0.1 OUTLIER -122.02 62.27 0.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 40.5 tp60 -70.31 -34.55 72.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.0 m -151.22 169.43 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 109.312 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 72' ' ' LYS . 4.1 tt0 -128.96 105.2 8.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 mp -90.39 141.01 29.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.49 ' CG1' ' HB3' ' A' ' 37' ' ' ALA . 40.7 mt -140.77 117.04 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.458 ' CB ' ' HB2' ' A' ' 31' ' ' LEU . . . -74.49 127.59 33.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -126.15 87.29 56.42 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.73 8.56 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.467 1.772 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.38 -48.14 62.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.7 m -125.73 24.3 7.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.005 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.564 ' HD3' ' CZ3' ' A' ' 113' ' ' TRP . 0.2 OUTLIER 51.19 54.31 11.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.9 p -138.2 172.29 13.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.143 . . . . 0.0 110.409 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.417 HG21 ' CD2' ' A' ' 111' ' ' LEU . 84.1 t -141.18 128.56 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.28 145.98 27.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 38.6 t -132.97 137.39 53.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 59' ' ' GLU . 3.6 ttpt -145.49 124.92 13.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -84.06 118.58 24.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 110.28 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.437 ' CD2' ' HG2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -109.83 -1.34 17.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.55 -145.17 15.68 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -121.95 -50.91 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.782 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -56.56 139.43 75.42 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 122.07 6.97 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.801 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.0 m -90.92 158.66 16.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.984 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 86.9 m -118.11 120.54 38.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 76.0 t -101.29 90.22 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.4 -92.39 1.72 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.7 p -132.8 20.31 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 0.743 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -125.12 148.0 48.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.69 141.69 28.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.3 mt -105.84 -172.37 2.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -143.62 169.44 10.42 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.292 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 95.76 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 117.13 1.59 18.77 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.0 tp -86.01 -177.77 6.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 109.329 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.99 139.67 12.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -138.49 -167.91 11.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.68 146.79 51.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.775 . . . . 0.0 109.959 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.57 129.68 54.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.2 m -98.2 163.67 12.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.043 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.455 HD11 ' CB ' ' A' ' 113' ' ' TRP . 2.3 mt -56.14 107.84 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 114.89 -35.18 4.52 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.95 150.64 2.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.452 HG12 ' CB ' ' A' ' 108' ' ' PRO . 40.3 t -104.05 157.37 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.415 ' N ' HG11 ' A' ' 99' ' ' VAL . 49.9 tp -137.66 84.44 2.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.337 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.435 ' O ' ' C ' ' A' ' 102' ' ' LEU . 90.2 m-85 -61.94 98.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.46 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -37.47 -58.33 0.86 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 9.9 p -163.08 174.96 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 43.8 34.17 0.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 47.61 22.52 1.81 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 40.0 mt -119.84 -171.19 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 109.25 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.47 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 3.0 m-85 47.33 60.38 15.25 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.47 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.3 Cg_endo -74.97 126.78 10.21 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.508 1.794 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.46 ' CD2' HD12 ' A' ' 102' ' ' LEU . 3.8 mm? -105.16 88.01 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 86.6 m -62.51 131.23 48.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.399 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.417 ' CD2' HG21 ' A' ' 69' ' ' VAL . 11.1 tp -82.14 127.96 33.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -130.82 157.03 43.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.564 ' CZ3' ' HD3' ' A' ' 67' ' ' ARG . 2.0 t-105 -118.29 147.59 43.3 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.401 ' O ' ' NE1' ' A' ' 113' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 110.009 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 22.4 p-90 -166.94 171.48 11.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 107.963 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.9 mt -114.09 139.83 48.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.844 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 123.67 8.03 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 mp -94.23 131.57 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -101.54 110.87 22.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.448 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 2.1 mt -61.23 156.53 49.68 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 135.97 19.85 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.467 1.772 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 m -88.98 -31.32 18.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.039 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -46.52 -29.68 1.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.33 -0.16 12.75 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.517 1.135 . . . . 0.0 110.987 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -57.23 167.14 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.451 ' HB2' ' CG ' ' A' ' 59' ' ' GLU . . . -115.27 120.47 39.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.6 tp -98.41 114.91 27.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.456 ' CG1' ' HA ' ' A' ' 56' ' ' ASN . 2.3 t -87.45 129.35 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.4 mt -101.15 172.35 7.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.91 -154.27 25.44 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 0.6 OUTLIER -68.01 137.38 55.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 110.295 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.16 -175.42 23.99 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -0.18 9.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.566 1.824 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mp -61.01 -60.49 3.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.0 p -114.62 9.09 16.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.443 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 65.19 23.09 12.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.087 . . . . 0.0 110.274 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 85.3 t -86.59 129.54 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.5 p -131.19 20.19 4.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.442 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -79.76 138.9 37.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.361 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -64.35 -22.73 67.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -70.21 -27.41 64.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.425 ' SG ' ' CG1' ' A' ' 103' ' ' VAL . 0.1 OUTLIER -81.84 132.25 35.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 108.292 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -108.84 137.09 47.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.036 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -37.68 -36.72 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.456 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.0 m-80 -125.1 65.55 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 38.9 tp60 -70.36 -60.92 1.99 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.8 m -137.3 162.34 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.474 ' HB2' ' CD1' ' A' ' 74' ' ' LEU . 11.3 tt0 -112.39 125.23 53.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 mp -107.39 122.29 46.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.52 ' CD1' ' N ' ' A' ' 61' ' ' ILE . 0.3 OUTLIER -123.85 117.36 50.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.412 ' CB ' ' HB2' ' A' ' 31' ' ' LEU . . . -75.0 126.86 31.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -121.25 89.92 47.02 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -0.66 10.26 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.523 1.802 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -60.16 -44.36 95.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 m -139.21 22.55 2.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.0 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.521 ' HD3' ' CZ3' ' A' ' 113' ' ' TRP . 18.7 mmt85 59.82 63.57 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.6 p -141.53 174.37 10.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.391 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.6 t -147.32 136.72 16.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -95.47 145.0 25.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 80.7 t -131.5 116.08 30.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -124.37 121.8 35.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -77.0 116.71 17.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -112.31 -0.05 15.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -95.95 -146.75 21.48 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -119.14 -45.41 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -61.41 137.97 94.71 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 125.18 9.18 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.504 1.791 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -95.11 159.24 15.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.944 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.1 m -122.4 123.68 41.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.417 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.455 HG23 ' CD1' ' A' ' 86' ' ' LEU . 52.9 t -100.4 88.06 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.88 -92.51 1.81 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.1 p -131.86 19.83 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 0.779 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -125.03 145.02 50.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -92.78 142.34 27.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.455 ' CD1' HG23 ' A' ' 81' ' ' VAL . 11.3 mt -103.43 -172.46 2.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.372 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -143.83 172.08 6.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 113.15 3.73 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.455 1.766 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.12 0.82 59.76 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.2 tp -83.34 -178.76 7.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.32 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.4 141.82 15.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.982 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.42 -167.85 11.31 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 81.7 p -133.68 153.87 51.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.76 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.47 ' CD1' ' HB2' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -126.75 126.35 43.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.9 m -90.96 158.19 16.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 110.038 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.6 mt -55.48 103.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 119.34 -24.25 8.22 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.115 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -60.97 151.69 29.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 0.755 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.48 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 46.9 t -101.28 162.22 3.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.47 ' HB2' ' CD1' ' A' ' 94' ' ' LEU . 64.1 tp -143.51 84.9 1.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.453 ' CD1' ' O ' ' A' ' 105' ' ' GLY . 98.1 m-85 -60.89 100.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.45 HD13 ' CD2' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -36.78 -59.88 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.46 ' CG2' ' N ' ' A' ' 104' ' ' ASN . 2.8 p -165.1 167.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.155 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.46 ' N ' ' CG2' ' A' ' 103' ' ' VAL . 0.7 OUTLIER 53.34 26.88 5.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.353 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.453 ' O ' ' CD1' ' A' ' 101' ' ' TYR . . . 54.73 17.46 9.1 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.48 1.113 . . . . 0.0 111.037 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 89.9 mt -112.24 -170.91 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.439 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 15.1 m-85 42.68 62.1 8.6 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.48 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.1 Cg_endo -75.07 128.29 11.31 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.513 1.796 . . . . 0.0 110.953 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.45 ' CD2' HD13 ' A' ' 102' ' ' LEU . 4.2 mm? -108.17 108.94 20.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.246 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 53.5 m -82.64 132.81 35.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 110.405 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 15.6 tp -86.21 130.23 34.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -134.76 157.27 47.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.521 ' CZ3' ' HD3' ' A' ' 67' ' ' ARG . 3.2 t-105 -123.49 136.07 54.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 108.046 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.953 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 mt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 53.6 p-90 -160.66 164.01 32.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 107.97 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 mt -103.41 142.99 33.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.912 0 N-CA-C 111.059 -0.4 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 112.75 3.63 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.539 1.81 . . . . 0.0 111.039 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.64 135.55 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -96.78 108.24 20.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.47 ' HB2' ' CB ' ' A' ' 62' ' ' ALA . 2.0 mt -56.0 152.52 20.82 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 118.87 5.41 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.469 1.773 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.3 t -77.0 -27.37 54.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.993 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -49.36 -28.96 5.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.52 -7.79 12.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -53.95 171.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.477 ' HB3' ' CG1' ' A' ' 61' ' ' ILE . . . -114.7 118.19 32.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.4 tp -91.08 105.11 17.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.6 t -76.2 122.2 29.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.7 mt -106.89 157.26 17.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.28 -150.84 21.23 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 0.5 OUTLIER -64.01 136.13 57.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 110.341 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 139.08 -169.82 24.31 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.52 1.138 . . . . 0.0 110.968 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -1.8 11.71 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.443 HD22 ' N ' ' A' ' 45' ' ' LEU . 4.3 mm? -59.15 -61.84 2.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.443 ' OG1' ' CG2' ' A' ' 48' ' ' VAL . 73.2 p -117.87 10.85 13.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.379 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 66.04 16.77 10.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.336 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.443 ' CG2' ' OG1' ' A' ' 46' ' ' THR . 88.3 t -79.26 130.24 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.4 p -131.05 25.41 4.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.38 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.04 145.22 25.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -66.03 -40.46 91.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.0 mmtm -55.71 -19.39 10.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.96 129.81 36.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 108.305 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -108.65 136.49 48.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 110.051 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -38.17 -35.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.344 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -123.86 57.56 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.413 ' NE2' ' O ' ' A' ' 77' ' ' ASN . 40.4 tp60 -62.2 -44.79 95.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.346 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.0 m -149.28 157.56 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.472 ' CG ' ' HB3' ' A' ' 37' ' ' ALA . 31.7 tt0 -111.22 108.0 17.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 mp -90.1 136.39 33.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.477 ' CG1' ' HB3' ' A' ' 37' ' ' ALA . 24.3 mt -135.85 114.98 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.47 ' CB ' ' HB2' ' A' ' 31' ' ' LEU . . . -74.64 124.99 27.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.71 88.63 39.89 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.97 8.25 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.52 1.8 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -81.36 -23.15 37.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.259 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.83 25.33 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.024 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? 42.4 46.25 4.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.4 p -125.2 176.22 6.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.408 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 94' ' ' LEU . 86.9 t -151.85 123.49 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.91 145.92 26.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 38.3 t -133.13 109.69 14.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt -109.48 129.43 55.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -84.87 115.12 22.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.38 8.01 14.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -101.91 -153.1 25.28 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.544 1.152 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.2 p -114.87 -47.62 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 0.782 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.413 ' O ' ' NE2' ' A' ' 57' ' ' GLN . 1.9 m120 -64.3 137.33 97.09 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 129.08 12.02 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.515 1.797 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.0 m -102.04 159.35 15.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.571 1.169 . . . . 0.0 110.041 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.4 m -117.01 120.05 37.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.429 HG11 ' CD1' ' A' ' 94' ' ' LEU . 35.9 t -98.03 81.0 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.11 -92.89 1.38 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.1 p -133.96 15.06 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -125.02 136.28 53.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.8 143.18 33.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.5 mt -101.32 -177.12 3.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.91 169.78 12.1 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 110.2 3.07 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.48 1.779 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.6 3.65 56.19 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.2 tp -85.95 179.27 7.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 0.761 . . . . 0.0 109.277 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.38 133.77 8.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.032 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -134.59 -167.77 11.54 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -133.26 152.05 51.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 109.985 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.429 ' CD1' HG11 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -124.34 128.45 49.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.328 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 43.9 m -92.68 161.98 14.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.954 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.7 mt -57.05 110.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 113.69 -34.04 5.2 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -50.32 150.31 2.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.786 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.539 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 91.3 t -99.37 159.52 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 37.0 tp -140.78 84.57 1.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.439 ' O ' ' C ' ' A' ' 102' ' ' LEU . 96.5 m-85 -61.22 98.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 101' ' ' TYR . 0.1 OUTLIER -37.4 -58.53 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 8.2 p -161.9 173.25 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 42.83 35.7 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.402 ' O ' ' CD1' ' A' ' 101' ' ' TYR . . . 47.53 22.36 1.67 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 40.5 mt -118.09 -171.42 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.74 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.459 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 3.9 m-85 43.22 60.6 10.63 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.539 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.02 127.93 11.06 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.504 1.792 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.41 ' CD2' ' O ' ' A' ' 107' ' ' TYR . 3.4 mm? -104.64 96.36 6.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.6 m -68.4 133.43 48.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.454 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 64.9 tp -89.37 129.07 35.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -130.7 169.66 15.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.307 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.406 ' CD1' ' C ' ' A' ' 113' ' ' TRP . 0.4 OUTLIER -138.81 129.93 26.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 108.012 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 52.6 p-90 -159.93 160.12 33.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 107.958 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.465 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -98.82 148.05 24.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 111.004 -0.421 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 113.38 3.78 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.535 1.808 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.9 mp -78.16 132.99 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -98.18 102.45 14.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.465 HD22 ' CD2' ' A' ' 19' ' ' LEU . 2.1 mt -58.73 159.29 13.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 152.68 40.75 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.484 1.781 . . . . 0.0 110.966 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.404 ' C ' ' N ' ' A' ' 35' ' ' GLY . 86.0 p -97.65 -35.74 10.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -45.41 -27.43 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 33' ' ' SER . . . 116.79 -3.58 19.44 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -50.42 172.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.76 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.49 ' CB ' ' CG1' ' A' ' 61' ' ' ILE . . . -120.96 122.77 40.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.6 tp -95.77 109.01 21.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.438 ' CG1' ' HA ' ' A' ' 56' ' ' ASN . 1.5 t -71.58 133.71 31.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.4 mt -112.67 167.25 10.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.99 -156.72 27.05 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -54.98 150.66 9.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.736 . . . . 0.0 110.283 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.7 -178.46 16.8 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.538 1.149 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -3.47 13.98 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.403 ' N ' HD11 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -59.82 -61.27 2.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.3 p -109.05 6.3 24.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 63.1 26.52 15.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.467 HG11 ' CB ' ' A' ' 53' ' ' CYS . 40.6 t -92.64 129.16 43.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.3 p -118.04 -9.07 10.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.398 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -51.63 152.34 2.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.5 mtm180 -80.43 -33.58 36.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -61.59 -15.08 35.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.467 ' CB ' HG11 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -88.78 125.9 35.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.317 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.83 136.9 44.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.015 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.84 -35.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 110.332 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.438 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 1.2 m-20 -125.7 58.57 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -61.86 -50.25 73.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.3 m -139.74 171.16 14.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 37' ' ' ALA . 2.5 tt0 -122.15 109.15 14.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.452 ' CD1' HD22 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -93.06 140.93 28.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 0.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.49 ' CG1' ' CB ' ' A' ' 37' ' ' ALA . 27.0 mt -139.4 121.42 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.451 ' CB ' ' HB2' ' A' ' 31' ' ' LEU . . . -75.81 121.29 22.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.03 86.11 36.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.37 9.0 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.24 -43.51 94.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 m -137.3 26.94 2.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.005 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.561 ' HD3' ' CZ3' ' A' ' 113' ' ' TRP . 1.1 mmm-85 53.39 56.93 6.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.32 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.7 p -136.86 176.1 9.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.405 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.402 ' CG2' HD22 ' A' ' 111' ' ' LEU . 89.9 t -151.32 137.94 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -92.78 146.07 23.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.5 t -132.58 104.07 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -109.44 121.19 44.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.415 ' NE2' ' HA ' ' A' ' 88' ' ' PRO . 38.7 tt0 -77.73 116.16 18.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -109.2 -6.76 15.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -87.11 -142.84 7.61 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.558 1.161 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -126.58 -44.3 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 0.786 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -63.81 141.37 97.97 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 124.82 8.92 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.796 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -96.49 159.12 15.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.046 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.8 m -117.3 118.41 32.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.353 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.47 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 6.7 t -99.38 75.56 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 99.16 -95.52 1.56 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.8 p -129.63 19.12 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.753 . . . . 0.0 109.347 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -124.97 142.83 51.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.98 133.02 36.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.265 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.5 mt -95.3 -172.52 2.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -143.83 169.34 10.53 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.415 ' HA ' ' NE2' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -74.93 96.73 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.476 1.777 . . . . 0.0 111.04 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 115.4 4.32 20.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.9 tp -89.68 178.81 6.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 0.774 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.93 133.82 12.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.958 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -135.51 -168.69 11.65 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.6 m -134.84 152.4 51.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 0.786 . . . . 0.0 109.978 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.461 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -121.17 130.86 53.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.94 147.09 24.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.98 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.461 HD21 ' CB ' ' A' ' 113' ' ' TRP . 2.1 mt -43.71 110.25 0.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.142 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 112.97 -36.25 4.18 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.485 1.116 . . . . 0.0 110.957 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -50.82 149.62 3.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 0.747 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.434 HG13 ' CB ' ' A' ' 108' ' ' PRO . 94.8 t -97.35 166.69 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.452 HD22 ' CD1' ' A' ' 60' ' ' LEU . 47.8 tp -147.86 84.82 1.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.468 ' CD1' ' O ' ' A' ' 105' ' ' GLY . 99.0 m-85 -61.81 100.29 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 101' ' ' TYR . 0.0 OUTLIER -36.08 -59.88 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.46 ' CG2' ' N ' ' A' ' 104' ' ' ASN . 2.8 p -164.88 167.51 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.46 ' N ' ' CG2' ' A' ' 103' ' ' VAL . 0.7 OUTLIER 52.85 28.2 6.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.468 ' O ' ' CD1' ' A' ' 101' ' ' TYR . . . 53.78 18.42 8.25 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.477 1.111 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 70.1 mt -112.03 -171.57 1.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 0.744 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.495 ' O ' ' CD2' ' A' ' 109' ' ' LEU . 11.6 m-85 43.29 61.49 9.89 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.452 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.2 Cg_endo -75.0 121.3 6.49 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.51 1.794 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 107' ' ' TYR . 3.7 mm? -101.25 118.89 37.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.5 m -91.86 126.08 36.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.43 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.402 HD22 ' CG2' ' A' ' 69' ' ' VAL . 52.5 tp -79.72 129.32 34.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -127.53 165.51 19.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.263 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.561 ' CZ3' ' HD3' ' A' ' 67' ' ' ARG . 1.6 t-105 -138.48 132.02 30.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 107.989 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.481 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 4.6 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.97 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 36.3 p-90 -166.47 172.91 10.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 108.025 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.4 mt -118.84 144.36 46.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.351 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 111.003 -0.422 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 103.94 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 110.987 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.4 mp -77.62 128.5 38.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -94.4 112.54 24.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.452 ' HB2' ' CB ' ' A' ' 62' ' ' ALA . 0.7 OUTLIER -64.6 162.58 33.98 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 148.44 34.97 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.457 1.767 . . . . 0.0 110.969 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 m -111.12 -5.41 14.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.003 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -79.46 -10.37 59.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.93 -18.53 16.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -47.11 170.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 0.771 . . . . 0.0 110.313 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.49 ' CB ' HG12 ' A' ' 61' ' ' ILE . . . -125.02 128.76 49.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.6 tp -92.24 99.11 11.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.6 t -70.8 111.87 5.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.361 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 mp -92.83 174.51 7.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.99 -158.75 27.73 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -56.79 150.57 15.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 0.791 . . . . 0.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 125.19 -176.61 17.14 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.555 1.159 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.4 8.96 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.483 1.781 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.4 mp -59.84 -60.11 4.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 69.2 p -116.33 8.81 14.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.376 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 67.47 17.24 10.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 68.9 t -79.45 129.53 37.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.3 p -130.42 18.22 5.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.41 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.24 131.47 35.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -62.05 -30.01 70.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.297 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -60.37 -18.36 49.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -86.41 171.25 11.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 108.313 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -145.41 136.33 24.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.994 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.1 OUTLIER -38.47 -31.79 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 54' ' ' SER . 3.8 p30 -129.28 62.44 1.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -67.43 -44.42 78.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.6 m -146.88 157.33 10.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.479 ' CG ' ' HB2' ' A' ' 37' ' ' ALA . 23.7 tt0 -114.2 101.39 9.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.254 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.67 144.2 31.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.49 HG12 ' CB ' ' A' ' 37' ' ' ALA . 93.0 mt -140.87 113.88 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.452 ' CB ' ' HB2' ' A' ' 31' ' ' LEU . . . -74.65 126.21 30.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -124.79 86.02 56.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 1.19 8.02 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.514 1.797 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -76.15 -25.65 55.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.8 m -144.58 17.72 1.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.97 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 51.33 57.17 6.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.6 p -138.29 176.41 8.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.398 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.416 ' CG2' HD21 ' A' ' 111' ' ' LEU . 66.9 t -146.7 136.85 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -101.16 139.32 37.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.452 HG21 ' CD1' ' A' ' 94' ' ' LEU . 48.4 t -128.15 113.38 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -112.3 116.72 30.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -71.37 119.1 15.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.423 ' CD1' ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -122.43 10.43 9.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -100.75 -146.45 19.2 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.52 1.137 . . . . 0.0 111.04 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.3 p -120.0 -49.22 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -68.58 141.97 93.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 128.83 11.85 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.9 m -97.72 159.17 15.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.019 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.9 m -115.99 117.75 31.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.37 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.2 t -98.52 78.28 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 99.46 -94.71 1.42 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.3 p -132.08 17.94 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -125.1 143.28 51.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.36 133.44 34.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.0 mt -93.0 -172.8 3.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.22 172.21 5.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 112.24 3.51 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.488 1.783 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.17 4.15 58.65 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.4 tp -86.78 179.64 6.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.762 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.93 132.76 8.52 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.974 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -132.58 -172.07 12.93 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.495 1.122 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 59.7 p -130.76 153.14 49.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 0.77 . . . . 0.0 110.019 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -125.03 128.45 48.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.85 151.15 19.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.008 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.421 HD21 ' N ' ' A' ' 113' ' ' TRP . 2.5 mt -46.11 108.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 115.49 -37.34 3.5 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -49.41 151.49 1.52 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 0.782 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.419 ' CG1' ' N ' ' A' ' 100' ' ' LEU . 41.0 t -101.13 160.59 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.346 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 94' ' ' LEU . 28.7 tp -140.93 84.44 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.445 ' O ' ' C ' ' A' ' 102' ' ' LEU . 94.3 m-85 -61.71 99.11 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.113 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.459 HD13 ' CD2' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -36.74 -58.87 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.438 HG22 ' ND2' ' A' ' 104' ' ' ASN . 11.4 p -160.56 172.17 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.438 ' ND2' HG22 ' A' ' 103' ' ' VAL . 0.9 OUTLIER 40.04 44.37 1.46 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 39.63 28.56 0.13 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.128 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 104' ' ' ASN . 13.0 mt -122.02 -172.06 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.443 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 3.9 m-85 41.49 61.67 7.66 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.443 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.3 Cg_endo -75.01 134.06 17.34 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.54 1.811 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.459 ' CD2' HD13 ' A' ' 102' ' ' LEU . 4.1 mm? -111.64 95.05 5.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 80.5 m -69.51 128.64 37.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.366 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.416 HD21 ' CG2' ' A' ' 69' ' ' VAL . 17.9 tp -75.78 138.63 41.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -141.33 150.43 42.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.421 ' N ' HD21 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -119.49 140.17 50.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 107.975 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -166.88 153.94 8.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 108.009 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.47 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -90.71 138.28 31.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.15 . . . . 0.0 110.303 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 119.11 5.51 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.508 1.793 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 mp -94.75 140.23 17.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -105.16 119.23 38.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.47 HD22 ' CD2' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -70.8 165.49 46.16 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 158.9 42.02 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.535 1.808 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 83.1 p -103.46 -35.77 8.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.8 -31.99 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.35 -3.08 8.28 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.68 168.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 0.787 . . . . 0.0 110.261 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.481 ' HB3' ' CG1' ' A' ' 61' ' ' ILE . . . -119.55 122.73 42.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.9 tp -91.63 100.16 12.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.471 ' CG1' ' HA ' ' A' ' 56' ' ' ASN . 1.7 t -70.75 119.82 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.7 mt -102.37 159.36 15.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 159.95 -157.14 28.41 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.458 ' CZ ' ' HA ' ' A' ' 51' ' ' ARG . 11.7 mtm180 -56.0 138.48 48.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 0.787 . . . . 0.0 110.253 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.81 -174.69 21.49 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -0.25 9.72 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.507 1.793 . . . . 0.0 111.039 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.46 HD23 ' N ' ' A' ' 45' ' ' LEU . 2.6 mm? -60.32 -61.48 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.6 p -117.32 11.86 14.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.437 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 64.97 19.94 11.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.323 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 23.0 t -77.85 122.9 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 49' ' ' THR . 1.6 t -128.55 28.86 5.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.395 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -99.08 121.73 41.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.458 ' HA ' ' CZ ' ' A' ' 42' ' ' ARG . 18.7 mtt180 -51.35 -29.31 14.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 77' ' ' ASN . 4.4 mmmt -59.04 -17.1 22.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.76 166.6 11.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 108.317 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.28 138.7 35.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 110.005 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.2 mtm-85 -39.29 -34.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.471 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 0.8 OUTLIER -123.45 58.92 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -68.35 -50.22 54.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.0 m -140.67 162.34 23.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.461 ' CG ' ' HB3' ' A' ' 37' ' ' ALA . 17.8 tt0 -121.47 116.39 24.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mp -99.68 141.16 32.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.481 ' CG1' ' HB3' ' A' ' 37' ' ' ALA . 88.4 mt -135.02 118.88 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.438 ' CB ' ' HB2' ' A' ' 31' ' ' LEU . . . -74.69 115.35 14.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -116.94 87.12 21.18 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.65 10.23 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -71.82 -35.78 70.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 110.335 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.1 m -136.07 26.67 3.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.037 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.665 ' CD ' ' CZ3' ' A' ' 113' ' ' TRP . 24.3 mmt85 44.83 46.86 8.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.9 p -129.47 177.48 7.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.434 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.413 HG23 ' CD2' ' A' ' 111' ' ' LEU . 62.0 t -147.67 129.04 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -87.95 139.12 30.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.462 HG13 ' CG2' ' A' ' 81' ' ' VAL . 66.0 t -122.77 134.95 64.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -140.44 123.5 16.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -82.67 107.74 15.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 110.276 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.445 ' CD1' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -100.2 -1.73 35.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.18 -146.32 19.31 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -120.6 -52.55 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 1.9 m120 -57.6 137.56 82.22 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 129.06 12.03 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.498 1.788 . . . . 0.0 111.03 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.6 m -101.34 159.41 15.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 86.1 m -115.56 117.9 31.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.385 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.462 ' CG2' HG13 ' A' ' 71' ' ' VAL . 24.4 t -99.24 89.15 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.96 -96.47 2.22 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.3 p -130.41 17.28 2.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 0.773 . . . . 0.0 109.273 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -125.2 140.83 52.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -88.67 142.32 27.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.9 mt -104.39 -172.28 2.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -143.68 170.22 8.92 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 97.5 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.52 1.8 . . . . 0.0 111.043 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 114.93 1.94 22.38 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.1 tp -86.83 -177.98 6.22 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 0.738 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.28 132.4 7.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -129.15 -168.12 12.29 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.459 1.1 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.81 144.16 45.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 109.958 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.4 ' CD1' ' HB2' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -116.66 135.37 53.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.0 m -104.43 161.13 14.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.403 HD13 ' CB ' ' A' ' 113' ' ' TRP . 3.9 mt -54.91 107.58 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 114.08 -32.95 5.69 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -53.23 148.33 8.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.491 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 47.5 t -97.21 164.06 2.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.4 ' HB2' ' CD1' ' A' ' 94' ' ' LEU . 34.7 tp -143.47 84.36 1.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.418 ' O ' ' C ' ' A' ' 102' ' ' LEU . 95.8 m-85 -60.32 100.16 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 101' ' ' TYR . 0.0 OUTLIER -38.19 -57.75 1.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.438 HG23 ' ND2' ' A' ' 104' ' ' ASN . 11.8 p -162.57 172.21 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 106' ' ' LEU . 1.2 m120 40.24 45.76 1.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 37.47 30.12 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 104' ' ' ASN . 12.0 mt -123.57 -171.62 2.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.466 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 4.2 m-85 41.37 60.45 8.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.491 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.4 Cg_endo -75.01 140.03 24.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.517 1.799 . . . . 0.0 111.043 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -117.81 115.64 25.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 97.6 m -82.48 129.99 35.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.367 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.413 ' CD2' HG23 ' A' ' 69' ' ' VAL . 21.2 tp -87.39 130.15 34.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -131.93 178.88 6.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.665 ' CZ3' ' CD ' ' A' ' 67' ' ' ARG . 7.0 t-105 -135.18 144.94 47.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.155 . . . . 0.0 108.024 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.5 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 14.7 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.5 mt . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.595 ' HE1' ' N ' ' A' ' 114' ' ' SER . 64.1 p-90 -166.96 163.27 16.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 107.99 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.1 mt -109.23 136.02 49.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.858 0 N-CA-C 110.966 -0.436 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 110.95 3.21 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 mp -83.58 144.9 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -105.3 119.69 39.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.464 ' HB2' ' CB ' ' A' ' 62' ' ' ALA . 2.0 mt -69.89 153.89 95.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 124.65 8.76 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.401 ' C ' ' N ' ' A' ' 35' ' ' GLY . 2.2 m -78.4 -30.31 47.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.945 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -45.94 -26.47 0.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 33' ' ' SER . . . 117.14 -7.46 16.63 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -54.18 175.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.745 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.487 ' CB ' HG12 ' A' ' 61' ' ' ILE . . . -122.9 125.85 46.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.9 tp -94.96 104.16 16.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 56' ' ' ASN . 1.9 t -71.11 123.3 24.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.6 mt -102.62 170.99 7.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.96 -157.25 27.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.447 1.092 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 -58.64 139.03 56.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 0.738 . . . . 0.0 110.275 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.22 -175.11 21.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.36 8.99 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.494 1.786 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.4 mp -60.4 -61.63 2.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.4 p -114.97 8.12 15.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.392 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 65.74 23.6 11.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.292 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 47.6 t -84.05 129.13 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.2 p -127.2 33.22 4.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.406 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -93.05 128.02 38.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.357 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -59.14 -33.68 71.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.347 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.44 ' O ' ' ND2' ' A' ' 77' ' ' ASN . 8.8 mttt -62.42 -21.02 65.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.87 143.65 32.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 108.334 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -117.06 132.23 56.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 110.045 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.5 OUTLIER -37.48 -36.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.472 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 1.7 m120 -121.57 57.28 1.03 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -60.5 -53.56 56.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.263 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.7 m -140.14 162.31 24.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.458 ' HB2' ' CD1' ' A' ' 74' ' ' LEU . 3.4 tt0 -114.22 108.09 16.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.412 HD11 ' CD2' ' A' ' 100' ' ' LEU . 1.8 mp -88.65 142.26 27.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.487 HG12 ' CB ' ' A' ' 37' ' ' ALA . 88.2 mt -140.07 118.88 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.464 ' CB ' ' HB2' ' A' ' 31' ' ' LEU . . . -75.04 128.49 35.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -121.85 87.73 46.87 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.96 8.24 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.431 1.753 . . . . 0.0 111.054 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 65' ' ' GLU . 2.7 tp10 -78.06 -30.29 49.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.65 26.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.424 ' HB3' ' CD1' ' A' ' 96' ' ' LEU . 0.0 OUTLIER 46.98 38.31 6.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.2 p -115.65 174.9 5.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.421 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 99.2 t -151.51 140.31 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -102.1 139.99 36.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 70.1 t -124.76 111.47 28.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -112.27 120.08 40.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -78.62 118.95 21.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.458 ' CD1' ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -118.1 3.37 12.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.24 -141.1 9.93 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.533 1.145 . . . . 0.0 111.012 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -123.31 -52.59 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 52' ' ' LYS . 68.4 m-80 -64.75 139.41 97.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 129.34 12.3 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 86' ' ' LEU . 6.4 m -95.48 159.21 15.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 27.5 m -117.36 113.72 22.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 110.433 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.458 HG13 ' CD1' ' A' ' 94' ' ' LEU . 24.3 t -94.62 81.14 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 98.52 -94.74 1.51 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.559 1.162 . . . . 0.0 110.961 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.1 p -133.34 16.28 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 109.282 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -125.18 137.62 54.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.237 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.56 147.26 28.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 79' ' ' SER . 12.5 mt -106.37 -172.91 2.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.13 171.21 7.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 112.57 3.59 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.797 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.01 0.99 59.83 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.9 tp -82.58 -179.14 7.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 0.749 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.38 134.39 8.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 110.012 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.72 -167.8 11.96 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.446 1.091 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.8 p -133.35 148.48 51.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 0.745 . . . . 0.0 109.973 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.458 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -122.87 129.86 52.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.2 m -97.49 154.49 17.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.424 ' CD1' ' HB3' ' A' ' 67' ' ' ARG . 4.9 mt -52.56 100.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 125.28 -26.82 5.44 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.569 1.168 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -60.96 150.57 32.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 109.332 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 100' ' ' LEU . 94.1 t -96.36 166.26 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.44 ' CD1' HG21 ' A' ' 81' ' ' VAL . 44.5 tp -144.86 86.82 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 102' ' ' LEU . 91.3 m-85 -63.77 100.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 101' ' ' TYR . 0.0 OUTLIER -35.65 -58.42 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 12.3 p -166.13 171.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 106' ' ' LEU . 0.5 OUTLIER 41.9 43.02 2.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 40.71 26.38 0.14 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.528 1.142 . . . . 0.0 110.964 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 104' ' ' ASN . 28.4 mt -121.88 -170.99 2.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.459 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 7.1 m-85 38.4 60.77 4.9 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.459 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.2 Cg_endo -74.98 172.34 16.54 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.496 1.787 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.3 mp -153.62 133.93 13.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 99.2 m -96.54 130.59 43.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 20.1 tp -87.29 121.28 29.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.247 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -129.06 164.42 23.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.485 ' C ' ' CD1' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -135.46 133.79 38.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 108.027 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.595 ' N ' ' HE1' ' A' ' 18' ' ' TRP . 7.9 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.961 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.2 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.507 ' HE1' ' N ' ' A' ' 114' ' ' SER . 40.7 p-90 -166.82 159.84 14.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 108.033 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.1 mt -106.88 126.81 52.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 112.92 3.67 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.465 1.771 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 mp -85.83 143.69 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -106.55 106.06 16.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.453 ' HB2' ' CB ' ' A' ' 62' ' ' ALA . 1.1 mt -55.72 161.48 3.24 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 156.68 43.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.463 1.77 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.414 ' C ' ' N ' ' A' ' 35' ' ' GLY . 89.2 p -104.92 -34.59 7.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.029 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -43.61 -28.5 0.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 33' ' ' SER . . . 120.16 -1.99 12.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -55.71 175.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.481 ' CB ' HG12 ' A' ' 61' ' ' ILE . . . -124.86 125.82 44.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.9 tp -94.27 104.71 16.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.483 ' CG2' ' OE1' ' A' ' 59' ' ' GLU . 2.0 t -73.51 122.57 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.2 mt -103.65 170.41 7.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.413 ' HA2' ' CD2' ' A' ' 102' ' ' LEU . . . 148.68 -143.62 11.21 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -71.37 139.63 49.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 110.272 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.63 -175.89 20.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.32 9.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 111.061 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mp -60.98 -60.32 3.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.0 p -116.33 10.39 14.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.411 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 65.6 21.88 11.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.7 t -86.56 126.94 40.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.117 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.8 p -126.71 17.07 7.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.422 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -75.17 134.59 41.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.0 mtp-105 -64.24 -40.71 96.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.23 -31.21 31.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.429 ' SG ' ' CD2' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -71.51 175.5 5.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 108.291 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 57' ' ' GLN . 0.2 OUTLIER -153.13 132.95 13.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -38.66 -34.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.475 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 4.3 m-80 -118.97 54.19 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.351 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 54' ' ' SER . 42.7 tp60 -64.39 -51.79 61.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.1 m -141.51 169.08 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.483 ' OE1' ' CG2' ' A' ' 39' ' ' VAL . 2.0 tt0 -122.57 110.56 15.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.448 HD22 ' CD2' ' A' ' 100' ' ' LEU . 0.6 OUTLIER -93.06 143.18 26.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.481 HG12 ' CB ' ' A' ' 37' ' ' ALA . 96.5 mt -140.23 119.03 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.453 ' CB ' ' HB2' ' A' ' 31' ' ' LEU . . . -74.42 122.57 23.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -119.3 88.38 37.66 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.02 8.2 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.788 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -69.16 -39.46 78.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.7 m -141.33 26.31 1.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.029 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? 52.22 46.59 26.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.471 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 1.5 p -120.73 176.02 5.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.417 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 68' ' ' THR . 87.2 t -156.14 126.43 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.71 144.78 25.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 94.8 t -130.32 111.17 20.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.413 ' CD ' HD23 ' A' ' 74' ' ' LEU . 9.0 ttmm -110.94 121.44 45.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -76.84 121.27 23.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.413 HD23 ' CD ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -118.14 -1.96 11.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -87.72 -137.7 5.57 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -126.21 -53.58 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -63.74 139.28 97.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.36 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 124.97 9.05 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.491 1.785 . . . . 0.0 111.028 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.62 159.17 18.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.965 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 88.9 m -116.46 107.27 14.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.382 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.465 HG12 ' CD1' ' A' ' 94' ' ' LEU . 46.0 t -90.92 85.38 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.69 -96.32 2.07 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.452 1.095 . . . . 0.0 110.97 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.1 p -132.91 18.6 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.442 0.73 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -125.06 138.77 54.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -85.32 136.17 33.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.256 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.4 mt -95.17 -172.31 2.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -145.18 172.62 5.13 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 113.95 3.91 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.513 1.796 . . . . 0.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.65 3.65 62.49 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.5 tp -85.19 178.67 7.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.75 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.89 133.07 6.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -132.82 -168.82 12.07 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.7 p -128.15 150.37 50.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 0.737 . . . . 0.0 110.014 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.465 ' CD1' HG12 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -124.29 119.48 29.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.0 m -86.98 152.2 22.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.944 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.9 mt -50.53 103.55 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 123.69 -32.36 4.28 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.4 154.41 4.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 0.726 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.443 ' CG1' ' N ' ' A' ' 100' ' ' LEU . 67.5 t -100.89 164.37 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.448 ' CD2' HD22 ' A' ' 60' ' ' LEU . 60.7 tp -143.3 86.94 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 102' ' ' LEU . 87.7 m-85 -64.7 99.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 101' ' ' TYR . 0.0 OUTLIER -35.65 -58.14 0.62 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.439 HG22 ' ND2' ' A' ' 104' ' ' ASN . 11.9 p -166.11 172.39 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 106' ' ' LEU . 0.9 OUTLIER 40.11 46.09 1.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 37.84 28.87 0.04 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 104' ' ' ASN . 12.1 mt -123.78 -171.03 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.463 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 7.8 m-85 37.9 60.5 4.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.463 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.3 Cg_endo -74.96 174.05 13.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.541 1.811 . . . . 0.0 111.039 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 1.6 mp -153.76 135.5 14.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.3 m -98.78 126.35 44.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.393 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 26.6 tp -81.8 114.5 20.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -118.27 164.98 14.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.332 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.527 ' C ' ' CD1' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -137.17 135.49 37.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 108.034 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.507 ' N ' ' HE1' ' A' ' 18' ' ' TRP . 5.3 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.9 mt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 62.1 p-90 -165.2 150.57 9.42 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.474 ' CD2' HD23 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -93.16 148.63 21.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.268 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 110.948 -0.443 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 111.9 3.44 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.549 1.815 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.403 ' CG2' HD21 ' A' ' 38' ' ' LEU . 3.1 mp -79.93 112.38 17.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -86.56 108.84 18.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.474 HD23 ' CD2' ' A' ' 19' ' ' LEU . 1.6 mt -62.37 162.06 21.8 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 148.61 35.45 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.491 1.785 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -98.79 -21.56 16.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -56.11 -32.71 64.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.37 -8.07 5.94 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -48.45 176.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.521 ' HB2' ' CG1' ' A' ' 61' ' ' ILE . . . -129.39 120.18 25.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.403 HD21 ' CG2' ' A' ' 29' ' ' ILE . 9.9 tp -91.78 104.65 17.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.479 ' CG1' ' HA ' ' A' ' 56' ' ' ASN . 1.8 t -75.21 121.92 27.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -96.36 175.41 6.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.44 -151.06 23.17 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.475 1.109 . . . . 0.0 111.038 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -68.36 134.99 51.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 110.296 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.32 -173.83 28.19 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.453 1.096 . . . . 0.0 111.038 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -10.01 20.94 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.453 1.765 . . . . 0.0 110.954 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.2 mp -54.16 -60.86 2.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.7 p -110.75 4.15 19.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 65.31 19.58 11.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 110.34 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 43.3 t -81.15 133.84 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 40.0 p -131.03 24.72 4.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.375 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 51' ' ' ARG . 27.2 t0 -82.38 134.78 35.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . 0.42 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 60.9 mtt180 -60.39 -46.06 91.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -50.26 -31.1 13.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.356 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.61 135.79 48.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 108.327 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -112.29 133.09 54.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 110.015 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 54' ' ' SER . 9.5 mtt180 -37.6 -36.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.479 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.0 m120 -123.22 60.74 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -65.81 -46.89 76.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 110.337 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.6 m -146.56 158.44 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.496 ' CG ' ' HB2' ' A' ' 37' ' ' ALA . 10.5 tt0 -111.79 106.42 15.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 110.255 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mp -86.09 141.32 29.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.521 ' CG1' ' HB2' ' A' ' 37' ' ' ALA . 86.5 mt -137.84 119.29 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.474 ' CB ' ' HB2' ' A' ' 31' ' ' LEU . . . -74.02 130.74 40.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -129.81 85.02 59.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 0.79 8.49 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.467 1.772 . . . . 0.0 111.039 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -65.91 -32.59 74.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.273 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.2 m -152.16 35.38 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.4 mpp_? 45.02 67.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.334 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.412 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 1.5 p -144.61 177.27 8.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.392 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.412 ' CG2' ' O ' ' A' ' 68' ' ' THR . 89.2 t -154.1 138.5 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -100.26 143.44 30.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 94.1 t -128.59 123.17 59.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -122.55 120.18 33.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -76.35 116.95 17.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.451 ' CD1' ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -118.37 8.23 12.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -99.06 -145.71 19.04 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.55 1.156 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -118.98 -50.44 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 57.8 m-80 -66.19 138.93 96.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 127.52 10.73 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.793 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.2 m -92.25 159.3 15.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.985 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 56.2 m -120.23 114.33 21.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.364 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.453 HG21 ' CD1' ' A' ' 86' ' ' LEU . 54.3 t -97.7 92.44 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.68 -94.22 1.97 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.6 p -135.6 21.18 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 0.777 . . . . 0.0 109.247 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -125.21 143.7 50.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.79 135.3 34.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.453 ' CD1' HG21 ' A' ' 81' ' ' VAL . 11.0 mt -95.6 -172.17 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -146.54 172.34 5.35 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 112.43 3.56 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.483 1.78 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.63 2.26 58.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.3 tp -84.61 -179.39 7.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.87 133.57 7.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -133.12 -171.08 12.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.2 m -128.55 154.07 46.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 109.975 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.78 122.35 30.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.2 m -93.83 172.85 7.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.049 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.5 mt -63.82 115.85 5.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 108.5 -38.12 3.48 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -44.03 161.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 109.319 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 109' ' ' LEU . 79.4 t -112.14 163.57 8.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.41 ' N ' ' CG1' ' A' ' 99' ' ' VAL . 60.8 tp -144.93 89.4 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.479 ' O ' ' C ' ' A' ' 102' ' ' LEU . 95.1 m-85 -66.8 99.73 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.479 ' C ' ' O ' ' A' ' 101' ' ' TYR . 0.0 OUTLIER -34.6 -60.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 12.3 p -162.97 172.13 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.425 ' C ' ' N ' ' A' ' 106' ' ' LEU . 0.5 OUTLIER 41.24 40.61 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 42.83 24.52 0.26 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.477 1.111 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.425 ' N ' ' C ' ' A' ' 104' ' ' ASN . 26.0 mt -118.75 -170.18 1.86 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 0.766 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.51 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 9.2 m-85 38.11 58.26 4.92 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.51 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.1 Cg_endo -75.0 177.12 9.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.514 1.797 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.427 HD13 ' CD1' ' A' ' 102' ' ' LEU . 4.7 mp -151.97 162.94 40.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 46.4 m -121.92 119.09 30.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.432 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 21.3 tp -73.37 116.77 14.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.123 . . . . 0.0 109.258 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -117.85 169.46 9.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.485 ' CD1' ' O ' ' A' ' 114' ' ' SER . 0.1 OUTLIER -144.91 127.69 16.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 108.057 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.485 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 28.6 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.026 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mt . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.437 ' CB ' ' O ' ' A' ' 29' ' ' ILE . 38.0 p-90 -165.78 164.26 18.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 107.976 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.47 ' CD2' HD21 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -98.95 145.32 27.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.326 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.863 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 116.71 4.67 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 110.962 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.437 ' O ' ' CB ' ' A' ' 18' ' ' TRP . 2.5 mp -81.27 135.67 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -99.6 102.3 13.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.47 HD21 ' CD2' ' A' ' 19' ' ' LEU . 1.5 mt -60.95 160.29 21.74 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 163.86 34.41 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.513 1.797 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.432 ' C ' ' N ' ' A' ' 35' ' ' GLY . 4.2 p -110.4 -36.69 5.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.982 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -41.54 -29.7 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.432 ' N ' ' C ' ' A' ' 33' ' ' SER . . . 118.95 5.31 11.96 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -62.13 164.84 6.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 0.744 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.551 ' HB1' ' CG1' ' A' ' 61' ' ' ILE . . . -110.06 118.0 35.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 60' ' ' LEU . 16.9 tp -91.26 104.81 17.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.83 147.5 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.6 mt -127.91 173.82 9.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.466 ' HA2' ' CD2' ' A' ' 102' ' ' LEU . . . 148.48 -150.1 22.22 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -63.07 137.75 58.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 0.728 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 142.87 -175.97 22.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -13.5 21.23 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.502 1.79 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.421 HD21 ' N ' ' A' ' 45' ' ' LEU . 2.7 mt -52.86 -57.35 10.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 81.3 p -112.66 9.71 19.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.368 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 57.61 26.11 12.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.8 t -91.42 131.15 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.0 p -128.03 24.07 6.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.438 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.05 127.91 35.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.3 mmm-85 -52.18 -45.45 65.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -50.94 -23.18 2.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.06 109.32 19.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 108.31 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.05 139.48 30.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 55' ' ' ARG . 27.9 mtm105 -37.97 -33.72 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.122 . . . . 0.0 110.317 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -124.65 57.44 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -64.76 -41.45 95.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -144.93 175.58 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 0.0 109.246 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.404 ' CD ' ' CB ' ' A' ' 37' ' ' ALA . 25.8 tt0 -132.02 111.04 11.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 38' ' ' LEU . 4.1 mp -95.87 137.09 35.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.551 ' CG1' ' HB1' ' A' ' 37' ' ' ALA . 2.3 mp -134.21 121.7 38.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.45 ' CB ' ' HB2' ' A' ' 31' ' ' LEU . . . -74.75 121.82 22.33 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -121.47 86.46 44.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 0.49 8.84 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.489 1.784 . . . . 0.0 110.959 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.73 -40.95 98.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.258 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 m -142.77 36.81 1.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.995 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 45.36 62.81 2.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.55 176.72 9.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.366 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 97.4 t -150.18 137.68 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -93.13 144.96 24.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 23.1 t -132.41 116.55 28.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -117.69 126.82 53.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -80.94 114.53 19.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -116.29 -4.14 11.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.96 -140.04 6.06 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.552 1.157 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.3 p -127.67 -52.99 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -60.13 143.74 88.06 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 122.46 7.23 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.798 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.1 m -89.92 158.99 17.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.943 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 88.4 m -122.63 114.55 20.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.4 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.44 HG22 ' CD1' ' A' ' 86' ' ' LEU . 40.0 t -96.1 87.89 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.09 -93.66 1.92 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.9 p -134.02 19.54 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 0.766 . . . . 0.0 109.31 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . 0.417 ' HG2' ' N ' ' A' ' 85' ' ' GLU . 0.6 OUTLIER -124.9 136.41 53.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.417 ' N ' ' HG2' ' A' ' 84' ' ' GLN . 0.2 OUTLIER -83.82 141.68 31.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.31 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.44 ' CD1' HG22 ' A' ' 81' ' ' VAL . 10.1 mt -101.66 -172.25 2.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.05 172.85 4.72 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 114.55 4.05 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.531 1.806 . . . . 0.0 111.034 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.68 3.68 62.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.2 tp -85.01 -178.69 6.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 0.775 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.79 133.4 7.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.174 . . . . 0.0 109.981 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -133.21 -172.68 13.04 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 24.4 p -132.62 146.08 51.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.764 . . . . 0.0 110.044 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.441 ' CD1' ' HB2' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -116.18 130.35 56.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.4 m -94.26 161.62 14.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.127 . . . . 0.0 109.997 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.6 mt -59.59 107.93 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 112.83 -23.23 15.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -61.2 157.29 16.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.506 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 80.7 t -105.8 162.01 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.441 ' HB2' ' CD1' ' A' ' 94' ' ' LEU . 24.9 tp -144.7 85.73 1.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 102' ' ' LEU . 99.7 m-85 -62.1 99.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.466 ' CD2' ' HA2' ' A' ' 41' ' ' GLY . 0.0 OUTLIER -37.99 -59.0 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.437 HG22 ' ND2' ' A' ' 104' ' ' ASN . 12.9 p -159.58 172.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.078 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.476 ' O ' ' N ' ' A' ' 106' ' ' LEU . 1.4 m120 39.7 45.6 1.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 104' ' ' ASN . . . 37.05 30.23 0.04 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 104' ' ' ASN . 11.7 mt -122.26 -172.02 2.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.315 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.472 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 5.8 m-85 42.05 60.21 9.36 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.506 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.2 Cg_endo -75.0 134.17 17.47 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.545 1.813 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.464 ' CD2' HD11 ' A' ' 102' ' ' LEU . 4.1 mm? -110.56 113.25 25.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 13.4 m -85.45 121.02 27.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.408 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 18.7 tp -76.24 124.36 27.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -122.83 162.2 22.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . . . . . . . . . 0.7 OUTLIER -132.28 128.82 38.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 107.986 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.957 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 48.7 p-90 -166.85 155.57 10.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 108.0 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.484 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -92.98 149.04 21.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.331 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.922 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 110.97 3.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.447 1.762 . . . . 0.0 110.973 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 mp -78.68 118.47 26.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -84.08 105.37 14.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.484 HD22 ' CD2' ' A' ' 19' ' ' LEU . 3.7 mt -60.67 157.44 37.96 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 134.87 18.22 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.515 1.798 . . . . 0.0 110.963 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 61.3 p -84.78 -30.47 24.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 110.008 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.28 -32.98 11.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.47 -7.93 7.9 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 0.0 111.047 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -46.73 170.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.492 ' HB2' ' CG1' ' A' ' 61' ' ' ILE . . . -118.55 121.32 39.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.2 tp -91.04 101.38 14.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.6 t -70.81 115.2 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mp -93.11 174.05 7.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 137.96 -162.38 25.59 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.472 1.107 . . . . 0.0 110.965 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -48.71 147.77 2.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 0.793 . . . . 0.0 110.333 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 129.82 178.89 15.65 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.459 1.099 . . . . 0.0 111.035 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -1.56 11.39 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.52 1.8 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.1 mp -60.27 -61.13 2.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 54.8 p -112.11 4.22 17.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.41 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 65.55 25.87 11.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.441 HG13 ' CB ' ' A' ' 53' ' ' CYS . 24.9 t -85.63 130.73 35.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 50' ' ' ASP . 44.1 p -116.82 -30.17 5.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' THR . 51.5 t0 -39.58 124.46 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.564 1.165 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -59.77 -29.06 67.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -59.54 -16.48 25.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.441 ' CB ' HG13 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -90.24 121.99 32.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 108.302 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -97.81 136.88 37.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.956 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.69 -32.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 54' ' ' SER . 1.2 p30 -123.68 54.85 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 46.4 tp60 -65.5 -34.51 78.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.6 m -155.64 158.09 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.466 ' CG ' ' HB1' ' A' ' 37' ' ' ALA . 18.0 tt0 -116.71 104.0 10.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.449 HD22 ' CD2' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -87.08 139.14 30.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.492 ' CG1' ' HB2' ' A' ' 37' ' ' ALA . 38.9 mt -136.63 119.44 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 31' ' ' LEU . . . -74.51 125.1 27.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.97 87.98 44.1 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 0.68 8.61 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.577 1.83 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.33 -46.52 79.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.355 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.1 m -138.21 30.1 2.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.023 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.436 ' HB3' ' CD1' ' A' ' 96' ' ' LEU . 1.7 mpt_? 52.59 50.24 18.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.7 p -124.79 177.02 6.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.394 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 84.9 t -150.76 141.37 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -104.48 138.05 41.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.9 t -131.52 128.19 60.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -129.22 122.99 30.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.4 ' HB3' ' O ' ' A' ' 87' ' ' LYS . 32.2 tt0 -72.75 119.98 17.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.432 ' CD1' ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -121.09 9.74 10.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -104.22 -150.33 20.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.096 . . . . 0.0 111.013 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.5 p -112.49 -51.64 5.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.529 0.782 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -65.07 141.2 98.27 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 133.12 16.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.788 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.9 m -97.53 159.51 14.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.6 m -121.09 109.56 15.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.38 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.468 HG21 ' CD1' ' A' ' 100' ' ' LEU . 11.1 t -92.9 80.5 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 100.04 -96.6 1.64 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.4 p -133.75 19.47 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 0.769 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -125.1 140.09 53.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -84.58 142.41 29.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.453 ' CD1' HG22 ' A' ' 81' ' ' VAL . 12.7 mt -102.85 -176.62 3.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 73' ' ' GLN . 7.9 mttt -141.19 172.13 6.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 110.28 3.09 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.32 2.48 56.72 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.521 1.138 . . . . 0.0 110.959 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.2 tp -87.06 167.25 14.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.792 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.13 138.7 28.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -135.44 -169.27 11.81 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.5 m -134.75 153.75 51.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 0.0 109.965 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.418 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -126.02 130.74 51.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.0 m -95.67 165.29 12.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.436 ' CD1' ' HB3' ' A' ' 67' ' ' ARG . 4.0 mt -61.19 105.16 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 116.67 -24.84 9.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.499 1.125 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.76 152.42 22.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 0.752 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.494 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 97.6 t -101.33 162.91 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.468 ' CD1' HG21 ' A' ' 81' ' ' VAL . 39.7 tp -144.95 84.49 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.409 ' O ' ' C ' ' A' ' 102' ' ' LEU . 99.3 m-85 -60.66 100.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.434 ' CD2' ' SG ' ' A' ' 53' ' ' CYS . 0.1 OUTLIER -38.19 -58.73 0.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 7.4 p -162.59 173.88 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.322 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 42.94 36.59 0.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 46.26 23.43 1.21 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 30.8 mt -119.82 -171.55 2.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.475 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 2.5 m-85 43.47 59.83 11.56 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.494 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.2 Cg_endo -75.05 133.97 17.17 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 0.0 110.957 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.411 ' CD2' HD12 ' A' ' 102' ' ' LEU . 4.1 mm? -111.09 104.35 12.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.1 m -77.92 129.42 35.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.423 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.2 tp -81.52 130.79 35.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -129.25 165.9 20.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.312 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.444 ' CD1' ' O ' ' A' ' 114' ' ' SER . 2.3 t-105 -141.64 127.07 18.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 108.007 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.444 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 3.5 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.991 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mt . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . 0.453 ' CZ3' ' HB2' ' A' ' 112' ' ' ARG . 50.6 p-90 -163.99 163.52 23.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 108.001 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.48 ' CD2' HD23 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -104.28 146.21 29.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.94 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 111.003 -0.422 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 118.45 5.27 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.524 1.802 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 mp -79.97 113.04 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.076 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -87.21 108.96 19.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.48 HD23 ' CD2' ' A' ' 19' ' ' LEU . 3.2 mt -62.51 153.89 75.24 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 164.11 34.03 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.504 1.791 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.426 ' C ' ' N ' ' A' ' 35' ' ' GLY . 96.6 p -107.04 -35.36 6.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.976 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -43.91 -27.36 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.426 ' N ' ' C ' ' A' ' 33' ' ' SER . . . 114.12 5.2 21.82 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -58.94 169.73 0.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.492 ' HB1' ' CG1' ' A' ' 61' ' ' ILE . . . -115.28 117.78 31.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 60' ' ' LEU . 9.0 tp -90.99 106.38 18.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.465 ' CG1' ' HA ' ' A' ' 56' ' ' ASN . 1.7 t -74.0 134.91 28.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.467 ' CD2' HD22 ' A' ' 45' ' ' LEU . 13.5 mt -117.21 163.74 15.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.74 -147.59 16.9 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.458 1.099 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -65.12 141.6 58.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 0.742 . . . . 0.0 110.269 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.84 -173.87 22.96 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -7.69 19.4 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.783 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.467 HD22 ' CD2' ' A' ' 40' ' ' LEU . 6.3 mp -54.91 -61.67 2.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.143 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' THR . . . . . 0.495 ' OG1' ' CG2' ' A' ' 48' ' ' VAL . 15.5 p -112.14 6.89 19.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 65.12 14.96 9.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.495 ' CG2' ' OG1' ' A' ' 46' ' ' THR . 53.0 t -75.71 133.95 30.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.6 p -128.37 10.04 6.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.398 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -69.31 128.61 37.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.5 mtt85 -58.01 -44.29 87.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -49.53 -26.75 3.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . 0.401 ' SG ' ' CD2' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -76.94 142.05 40.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 108.283 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -119.78 133.63 55.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -38.12 -32.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.465 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.5 p30 -126.1 61.29 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -69.49 -50.41 45.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.9 m -140.8 154.27 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.477 ' CG ' ' HB1' ' A' ' 37' ' ' ALA . 30.0 tt0 -107.91 114.22 27.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 38' ' ' LEU . 3.8 mp -95.59 139.92 31.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.492 ' CG1' ' HB1' ' A' ' 37' ' ' ALA . 16.9 mt -138.59 121.45 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.462 ' CB ' ' HB2' ' A' ' 31' ' ' LEU . . . -74.46 129.06 37.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.33 87.75 53.64 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 0.59 8.76 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.53 1.805 . . . . 0.0 110.975 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.7 -39.73 84.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.263 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.5 m -142.6 30.96 1.49 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.018 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.98 59.05 4.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.0 p -135.59 176.3 8.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.368 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 99.0 t -149.05 127.94 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.43 142.76 27.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 69.1 t -128.59 130.24 68.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -132.5 121.16 22.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -78.26 120.16 22.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.429 ' CD1' ' HB2' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -120.59 0.06 10.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.88 -128.28 1.81 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.7 p -137.07 -52.52 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -66.36 142.37 97.73 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 125.09 9.11 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.781 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 86' ' ' LEU . 4.1 m -93.68 159.26 15.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 110.002 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' THR . . . . . 0.457 ' HB ' ' CD2' ' A' ' 101' ' ' TYR . 53.4 m -117.54 116.72 27.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.388 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.446 HG12 ' CD1' ' A' ' 94' ' ' LEU . 21.3 t -97.77 85.77 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.56 -94.24 1.75 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.6 p -133.7 16.81 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.59 0.818 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -124.74 141.25 52.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -86.9 147.83 25.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 79' ' ' SER . 12.6 mt -108.38 -172.77 2.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -144.35 172.02 6.0 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 112.31 3.53 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.55 1.816 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 98.18 0.66 58.39 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.8 tp -82.92 -177.87 6.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 0.741 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.29 133.24 7.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.046 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -130.78 -168.82 12.32 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 57.8 p -133.22 151.85 51.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.763 . . . . 0.0 109.985 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.446 ' CD1' HG12 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -127.11 129.51 48.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.9 m -100.75 166.32 10.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.962 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.455 HD11 ' CB ' ' A' ' 113' ' ' TRP . 5.3 mt -59.39 104.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 120.07 -33.52 4.52 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.82 155.43 1.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 0.742 . . . . 0.0 109.232 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 100' ' ' LEU . 94.3 t -104.58 161.26 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.426 ' N ' HG12 ' A' ' 99' ' ' VAL . 60.9 tp -142.35 89.09 2.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.468 ' O ' ' C ' ' A' ' 102' ' ' LEU . 90.4 m-85 -65.11 100.11 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.468 ' C ' ' O ' ' A' ' 101' ' ' TYR . 0.0 OUTLIER -35.29 -58.61 0.56 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.43 HG23 ' ND2' ' A' ' 104' ' ' ASN . 12.8 p -165.95 172.36 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.469 ' O ' ' N ' ' A' ' 106' ' ' LEU . 1.1 m120 40.43 45.91 1.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 37.16 29.72 0.04 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 104' ' ' ASN . 11.7 mt -124.36 -170.78 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.509 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 9.7 m-85 38.64 58.16 5.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.509 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.2 Cg_endo -75.01 172.79 15.68 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.435 1.755 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.6 mp -146.2 171.07 15.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.8 m -131.07 115.71 16.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.4 tp -70.41 113.0 7.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . 0.453 ' HB2' ' CZ3' ' A' ' 18' ' ' TRP . 30.1 mmt180 -115.38 160.17 20.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.455 ' CB ' HD11 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -131.59 137.74 48.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 108.025 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.983 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . 0.429 HD23 ' CD1' ' A' ' 111' ' ' LEU . 1.2 mt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 36.0 p-90 -166.97 158.49 12.49 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.474 HD22 ' CD2' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -97.24 150.94 20.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.9 0 N-CA-C 110.993 -0.426 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 131.68 14.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.472 1.775 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.2 mp -99.15 118.89 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -85.46 112.43 20.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.972 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.474 ' CD2' HD22 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -62.82 162.2 23.39 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 112.42 3.56 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m -66.1 -28.01 68.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -47.35 -31.87 4.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.66 -7.45 8.93 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 111.023 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -53.84 177.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.478 ' CB ' HG12 ' A' ' 61' ' ' ILE . . . -123.29 121.55 36.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.9 tp -91.3 129.1 37.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 t -96.1 116.22 37.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.418 ' CD2' HD12 ' A' ' 60' ' ' LEU . 1.9 mm? -99.41 167.76 10.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.72 -155.44 26.47 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -58.36 149.3 25.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 110.256 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 123.7 -170.51 15.98 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.421 1.076 . . . . 0.0 110.947 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.56 8.75 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.534 1.807 . . . . 0.0 111.042 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.465 HD22 ' N ' ' A' ' 45' ' ' LEU . 4.5 mm? -59.79 -62.26 2.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.3 p -121.4 19.66 11.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.424 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . 0.511 ' NE2' ' N ' ' A' ' 47' ' ' GLN . 1.7 mp0 57.0 21.38 6.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 54.1 t -83.26 131.27 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.7 p -132.59 29.09 4.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.389 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -87.5 132.84 33.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -58.61 -41.05 84.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.429 ' O ' ' ND2' ' A' ' 77' ' ' ASN . 11.2 mttt -55.1 -27.24 43.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -78.15 163.5 25.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 108.301 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -144.46 139.14 28.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.991 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 54' ' ' SER . 3.8 mtm180 -38.38 -37.2 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -123.6 64.3 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -72.72 -37.46 67.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.7 m -150.23 163.55 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.476 ' HB2' ' CD1' ' A' ' 74' ' ' LEU . 1.3 tt0 -119.26 110.61 17.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.418 HD12 ' CD2' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -93.92 144.64 25.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.478 HG12 ' CB ' ' A' ' 37' ' ' ALA . 58.9 mt -141.64 118.16 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 31' ' ' LEU . . . -74.67 129.79 38.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -127.67 86.03 59.36 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.57 8.75 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.7 -45.19 62.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.11 29.66 4.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.569 ' HD2' ' CE3' ' A' ' 113' ' ' TRP . 35.5 mmt-85 45.12 55.98 5.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.443 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 2.1 p -134.32 176.83 8.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 110.361 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.443 ' CG2' ' O ' ' A' ' 68' ' ' THR . 89.2 t -154.9 138.78 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -100.91 140.31 35.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.077 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 69.1 t -124.82 114.81 42.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -115.37 120.46 39.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -74.98 122.33 23.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 110.328 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.476 ' CD1' ' HB2' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -119.52 0.33 11.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.21 -141.89 11.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -123.44 -52.34 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 52' ' ' LYS . 62.2 m-80 -60.2 140.62 91.13 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 121.85 6.82 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.786 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.5 m -91.14 159.2 16.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.959 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.0 m -120.41 116.71 26.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.393 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.2 t -95.55 79.99 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 98.65 -97.39 1.87 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.7 p -129.73 18.39 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -125.15 139.75 53.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -87.59 134.3 33.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.0 mt -95.27 -172.05 2.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -143.63 172.69 5.27 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 114.26 3.99 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.487 1.783 . . . . 0.0 111.022 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.6 3.56 62.63 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.3 tp -85.9 -179.43 6.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.62 132.79 6.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.019 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.86 -168.71 12.17 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.2 p -129.18 151.78 49.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.754 . . . . 0.0 110.03 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -125.19 116.86 22.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.4 m -87.82 152.31 22.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.043 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 mt -47.59 109.86 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 114.92 -27.73 8.49 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.51 150.27 23.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 0.755 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.501 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 58.7 t -100.76 162.13 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 24.4 tp -141.14 84.45 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.436 ' O ' ' C ' ' A' ' 102' ' ' LEU . 93.7 m-85 -60.73 99.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.46 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -37.76 -58.07 0.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 7.2 p -163.84 173.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 42.81 36.24 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 47.06 22.7 1.36 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.455 1.097 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 40.8 mt -119.29 -171.25 2.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 0.765 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.457 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 3.5 m-85 42.72 61.01 9.71 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.501 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.2 Cg_endo -75.08 135.66 19.21 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.453 1.765 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.46 ' CD2' HD12 ' A' ' 102' ' ' LEU . 4.0 mm? -114.99 94.8 4.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 64.6 m -67.7 136.48 54.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.429 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.429 ' CD1' HD23 ' A' ' 17' ' ' LEU . 16.2 tp -84.77 131.76 34.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -132.93 166.12 23.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.569 ' CE3' ' HD2' ' A' ' 67' ' ' ARG . 11.8 t-105 -126.43 145.28 50.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 108.019 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.408 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 23.4 t . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 110.008 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 mt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -166.96 158.45 12.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 108.035 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 mt -98.92 143.64 29.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.327 179.96 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 111.72 3.39 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.45 1.763 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.8 mp -83.87 145.27 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -103.92 109.89 21.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.441 ' HB2' ' CB ' ' A' ' 62' ' ' ALA . 2.3 mt -60.01 159.56 20.19 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 125.04 9.06 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.537 1.809 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -81.18 -29.39 34.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -47.82 -26.93 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.97 -9.69 11.27 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.546 1.154 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -48.14 175.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 0.783 . . . . 0.0 110.298 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.466 ' HB3' ' CG1' ' A' ' 61' ' ' ILE . . . -123.81 118.84 28.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.1 tp -93.16 106.36 18.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.46 ' CG1' ' HA ' ' A' ' 56' ' ' ASN . 1.7 t -76.53 122.46 30.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.44 174.07 7.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.13 -155.07 26.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -69.7 139.48 53.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.776 . . . . 0.0 110.331 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.88 -174.9 24.07 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -7.65 19.39 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.447 1.761 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.4 mp -56.06 -60.58 3.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.1 p -112.57 6.21 18.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 65.66 14.92 9.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.2 t -75.9 132.09 33.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 45.9 p -131.8 27.53 4.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.429 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -88.49 129.86 35.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.227 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.74 -45.44 78.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -48.22 -30.32 4.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.97 150.95 35.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.31 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -126.87 136.38 52.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 0.0 110.031 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -38.43 -30.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.46 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.4 m120 -130.52 62.31 1.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -67.28 -58.12 5.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.5 m -136.9 163.45 32.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.472 ' HB2' ' CD1' ' A' ' 74' ' ' LEU . 15.9 tt0 -115.51 113.55 23.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.09 138.73 31.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.466 ' CG1' ' HB3' ' A' ' 37' ' ' ALA . 21.5 mt -138.96 116.66 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.441 ' CB ' ' HB2' ' A' ' 31' ' ' LEU . . . -74.54 128.47 35.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.11 90.29 50.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.33 9.04 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.797 . . . . 0.0 111.041 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.62 -41.3 72.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.4 m -133.26 23.13 4.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.976 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.0 mpp_? 52.62 43.63 30.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.317 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.3 p -126.83 174.17 9.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 110.427 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.401 ' CG2' HD23 ' A' ' 111' ' ' LEU . 48.3 t -142.8 143.02 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -99.15 144.8 27.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.468 ' CG2' HD21 ' A' ' 94' ' ' LEU . 24.0 t -136.17 112.12 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -113.25 126.77 55.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.479 ' OE1' ' N ' ' A' ' 75' ' ' GLY . 1.4 tm0? -72.64 125.08 26.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.472 ' CD1' ' HB2' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -123.58 -5.01 8.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . 0.479 ' N ' ' OE1' ' A' ' 73' ' ' GLN . . . -93.18 -150.24 26.32 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.1 p -117.63 -47.87 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 0.778 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -66.3 140.88 96.98 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 116.27 4.54 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.781 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.7 m -85.95 150.77 24.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.032 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.9 m -102.21 117.29 34.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.371 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.495 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 4.2 t -99.97 75.02 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.6 -96.04 2.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.483 1.115 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.7 p -123.77 13.71 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -124.4 141.94 51.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.077 . . . . 0.0 110.321 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -96.73 123.9 40.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.31 -171.74 3.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . 0.418 ' O ' ' HB3' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -149.34 171.37 6.39 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . 0.464 ' HA ' ' NE2' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -75.06 87.56 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 126.1 1.01 7.48 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.45 1.094 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.4 tp -88.62 -177.32 5.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 0.778 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.89 134.31 9.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.984 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -136.12 -174.89 13.54 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.534 1.146 . . . . 0.0 110.96 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.8 p -133.92 153.38 51.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 0.747 . . . . 0.0 109.981 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.468 HD21 ' CG2' ' A' ' 71' ' ' VAL . 2.9 mm? -114.4 145.06 42.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' SER . . . . . 0.477 ' CB ' ' OD2' ' A' ' 98' ' ' ASP . 1.4 m -110.99 171.41 7.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.974 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.6 mt -68.37 116.0 8.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 100.01 -19.51 52.84 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . 0.477 ' OD2' ' CB ' ' A' ' 95' ' ' SER . 84.7 m-20 -63.94 158.92 21.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.521 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 70.5 t -111.0 151.77 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.414 ' CD2' HG21 ' A' ' 71' ' ' VAL . 12.1 tp -132.13 84.47 2.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 102' ' ' LEU . 89.6 m-85 -60.52 98.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.464 ' CD1' HD22 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -36.02 -58.55 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 8.2 p -164.18 174.01 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 43.62 33.9 0.74 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.16 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 49.51 21.09 2.92 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 70.3 mt -119.52 -171.34 2.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.749 . . . . 0.0 109.273 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.452 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 3.9 m-85 43.19 61.46 9.8 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.521 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.2 Cg_endo -74.98 145.36 31.42 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.553 1.817 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.464 HD22 ' CD1' ' A' ' 102' ' ' LEU . 4.1 mm? -122.28 82.52 1.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.7 m -60.05 135.38 57.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.401 HD23 ' CG2' ' A' ' 69' ' ' VAL . 29.1 tp -89.1 141.31 28.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -143.65 149.94 38.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.407 ' CD1' ' C ' ' A' ' 113' ' ' TRP . 0.1 OUTLIER -126.63 132.95 51.12 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.03 179.96 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mt . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.7 p-90 -165.18 151.09 9.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 108.023 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.471 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -89.78 145.88 24.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.336 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 110.99 -0.427 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 112.92 3.68 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.535 1.808 . . . . 0.0 110.957 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.0 mp -76.69 122.93 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -90.6 103.91 16.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.471 HD22 ' CD2' ' A' ' 19' ' ' LEU . 1.0 OUTLIER -55.35 161.71 2.66 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 169.65 22.11 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.511 1.795 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.4 p -113.72 -24.83 8.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 36' ' ' GLN . 1.5 m-20 -75.77 54.79 0.82 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 34' ' ' ASP . . . 32.65 37.63 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 34' ' ' ASP . 0.2 OUTLIER -83.76 176.09 9.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 110.262 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.529 ' HB3' ' CG1' ' A' ' 61' ' ' ILE . . . -126.21 121.21 32.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.3 tp -100.06 107.98 20.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.455 ' CG1' ' HA ' ' A' ' 56' ' ' ASN . 1.8 t -73.43 129.78 36.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.3 mt -109.57 173.19 6.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 141.91 -155.04 25.24 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -56.49 147.74 21.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 0.73 . . . . 0.0 110.347 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.39 -178.09 18.07 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -6.25 17.82 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.414 HD13 ' N ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -55.19 -62.19 1.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 81.9 p -112.81 10.47 19.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.39 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 61.02 23.42 13.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.3 t -83.95 127.29 39.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.6 p -123.43 7.82 9.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -70.23 133.42 47.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -32.39 73.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -60.71 -15.58 30.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.74 137.8 33.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 108.3 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -113.83 141.55 47.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.027 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -38.8 -46.07 1.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 110.288 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.455 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 4.3 p30 -113.0 58.42 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -64.13 -53.0 56.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.268 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.3 m -140.67 159.34 24.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.485 ' HB2' ' CD1' ' A' ' 74' ' ' LEU . 19.3 tt0 -112.18 118.01 34.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.465 HD22 ' CD2' ' A' ' 100' ' ' LEU . 1.7 mp -103.08 132.78 49.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.529 ' CG1' ' HB3' ' A' ' 37' ' ' ALA . 8.3 mt -129.97 121.37 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 31' ' ' LEU . . . -74.88 135.4 41.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.86 84.74 53.19 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.82 8.44 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.517 1.798 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -74.8 -30.38 61.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.7 m -143.31 16.88 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.953 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.467 ' HG2' ' CE3' ' A' ' 113' ' ' TRP . 1.2 mtt180 55.14 48.51 19.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.405 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 2.9 p -124.95 177.36 6.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.097 . . . . 0.0 110.364 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.46 ' CG2' HD22 ' A' ' 111' ' ' LEU . 84.5 t -153.95 131.52 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -93.69 144.76 25.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.402 HG12 ' CG2' ' A' ' 81' ' ' VAL . 76.8 t -128.76 116.51 41.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 59' ' ' GLU . 8.5 ttpt -122.58 120.66 34.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -79.99 118.85 22.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.368 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.485 ' CD1' ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -115.4 6.08 14.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -97.38 -145.25 18.75 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -119.28 -50.19 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -61.27 137.63 94.43 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 126.79 10.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.496 1.787 . . . . 0.0 111.056 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 m -97.73 159.17 15.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.023 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 89.2 m -119.81 123.88 44.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.393 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.462 HG13 ' CD1' ' A' ' 94' ' ' LEU . 13.2 t -103.32 83.65 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.226 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.52 -96.41 2.03 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.17 15.93 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -124.93 136.86 54.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.19 145.08 28.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.325 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . 0.457 ' CD1' HG22 ' A' ' 81' ' ' VAL . 12.4 mt -104.75 -172.38 2.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -142.97 172.67 5.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 113.94 3.91 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.475 1.776 . . . . 0.0 110.975 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.32 1.18 62.67 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.539 1.149 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.5 tp -83.44 179.85 7.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.66 134.93 11.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.961 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.73 -167.83 11.97 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.128 . . . . 0.0 110.954 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.1 p -133.18 153.94 51.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 0.773 . . . . 0.0 109.975 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.462 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -130.33 129.85 43.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.8 p -98.89 160.62 14.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.02 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.459 HD12 ' CB ' ' A' ' 113' ' ' TRP . 3.7 mt -53.3 107.97 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 115.89 -37.94 3.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -48.22 149.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 0.734 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.496 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 61.8 t -99.55 165.38 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.465 ' CD2' HD22 ' A' ' 60' ' ' LEU . 55.6 tp -145.51 84.91 1.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.431 ' O ' ' C ' ' A' ' 102' ' ' LEU . 97.8 m-85 -61.28 99.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.467 HD13 ' CD2' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -38.01 -58.43 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 8.9 p -163.54 173.02 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.4 ' C ' ' N ' ' A' ' 106' ' ' LEU . 0.5 OUTLIER 44.56 35.66 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 46.48 22.61 1.07 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.115 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.4 ' N ' ' C ' ' A' ' 104' ' ' ASN . 49.5 mt -118.46 -170.78 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 0.78 . . . . 0.0 109.283 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.469 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 3.3 m-85 43.41 60.09 11.28 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.496 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.2 Cg_endo -74.96 132.02 15.0 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.523 1.802 . . . . 0.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.467 ' CD2' HD13 ' A' ' 102' ' ' LEU . 3.9 mm? -110.58 110.6 21.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.9 m -80.92 130.15 34.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . 0.46 HD22 ' CG2' ' A' ' 69' ' ' VAL . 49.9 tp -81.12 122.06 26.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -120.99 162.0 20.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.467 ' CE3' ' HG2' ' A' ' 67' ' ' ARG . 3.4 t-105 -133.79 131.26 39.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 108.037 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.402 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 12.5 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 53.0 p-90 -162.49 160.88 26.69 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LEU . . . . . 0.475 ' CD2' HD21 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -98.02 140.42 32.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 110.281 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 116.7 4.66 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.531 1.806 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.9 mp -89.11 140.39 15.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -107.29 123.67 48.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.939 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' LEU . . . . . 0.476 ' HB2' ' CB ' ' A' ' 62' ' ' ALA . 0.8 OUTLIER -77.69 164.01 60.22 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PRO . . . . . 0.418 ' CG ' ' HB2' ' A' ' 36' ' ' GLN . 18.2 Cg_endo -74.99 148.24 35.04 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.504 1.792 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.1 p -93.32 -35.09 13.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.36 -32.8 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.18 -2.28 6.72 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.518 1.136 . . . . 0.0 111.047 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLN . . . . . 0.418 ' HB2' ' CG ' ' A' ' 32' ' ' PRO . 16.5 mt-30 -52.83 172.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 0.784 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . 0.518 ' HB1' ' CG1' ' A' ' 61' ' ' ILE . . . -124.0 124.52 42.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.5 tp -97.52 106.46 18.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.46 ' CG1' ' HA ' ' A' ' 56' ' ' ASN . 1.8 t -71.27 132.67 33.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.364 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.0 mt -120.26 154.36 35.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' GLY . . . . . 0.457 ' HA2' ' CD2' ' A' ' 102' ' ' LEU . . . 162.19 -142.74 8.18 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.473 1.108 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 0.7 OUTLIER -65.6 141.0 58.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 0.787 . . . . 0.0 110.284 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.69 -170.88 21.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -1.75 11.63 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.543 1.812 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.438 HD21 ' N ' ' A' ' 45' ' ' LEU . 4.3 mm? -59.06 -62.04 2.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.5 p -119.16 12.68 12.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.368 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 65.52 11.49 7.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 13.1 t -73.18 126.59 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 49' ' ' THR . 1.4 t -132.81 38.9 3.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.429 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -103.22 131.02 50.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.7 mtm105 -55.24 -40.65 71.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LYS . . . . . 0.449 ' O ' ' ND2' ' A' ' 77' ' ' ASN . 7.8 mmtm -52.04 -30.92 27.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.38 173.84 11.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.083 . . . . 0.0 108.288 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -151.98 136.5 16.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.019 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ARG . . . . . 0.457 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 0.7 OUTLIER -37.69 -32.22 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ASN . . . . . 0.46 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 0.1 OUTLIER -123.07 59.8 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -69.22 -35.87 76.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -151.02 169.19 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 72' ' ' LYS . 4.1 tt0 -123.65 100.13 6.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LEU . . . . . 0.446 ' CD2' HD13 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -83.75 135.83 34.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ILE . . . . . 0.518 ' CG1' ' HB1' ' A' ' 37' ' ' ALA . 4.7 mt -136.64 119.67 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.288 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . 0.476 ' CB ' ' HB2' ' A' ' 31' ' ' LEU . . . -74.08 115.08 13.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.67 86.09 18.16 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 0.88 8.4 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.501 1.79 . . . . 0.0 110.952 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.48 -28.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' SER . . . . . 0.551 ' O ' ' CB ' ' A' ' 67' ' ' ARG . 0.4 OUTLIER -162.91 -47.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.052 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ARG . . . . . 0.551 ' CB ' ' O ' ' A' ' 66' ' ' SER . 0.0 OUTLIER 154.28 70.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.3 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' THR . . . . . 0.438 ' CG2' ' O ' ' A' ' 67' ' ' ARG . 40.0 p -154.48 177.76 10.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.393 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' VAL . . . . . 0.422 ' CG2' ' O ' ' A' ' 68' ' ' THR . 69.1 t -154.82 138.84 8.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.429 1.081 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.02 146.01 24.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' VAL . . . . . 0.409 HG12 ' CG2' ' A' ' 81' ' ' VAL . 82.2 t -137.27 103.78 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 59' ' ' GLU . 1.2 ttmp? -107.44 123.36 48.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -79.24 108.31 12.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.93 -3.19 32.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -87.77 -142.62 7.98 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 110.95 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -125.91 -52.71 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 0.784 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 52' ' ' LYS . 37.9 m-80 -58.24 142.32 81.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.17 9.81 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.4 t -98.13 157.94 15.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.001 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.0 m -116.66 107.5 14.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.399 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.494 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 5.0 t -89.57 74.1 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 106.67 -98.02 1.29 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.05 17.58 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -124.78 140.87 52.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -86.38 136.2 33.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.7 mt -99.84 -172.66 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -141.06 169.58 11.19 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 98.24 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 113.66 2.67 24.05 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.9 tp -87.2 178.66 6.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.757 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.55 134.92 10.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.985 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -134.74 -167.87 11.54 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.46 1.1 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.2 m -126.25 143.93 50.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 0.763 . . . . 0.0 110.037 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' LEU . . . . . 0.482 ' CD1' HG21 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -118.43 119.83 35.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.1 m -86.46 164.78 16.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.463 HD12 ' CB ' ' A' ' 113' ' ' TRP . 9.8 mt -65.38 107.96 1.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 119.36 -29.89 5.99 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.426 1.079 . . . . 0.0 110.966 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.19 171.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 82' ' ' GLY . 19.2 t -121.62 149.91 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.425 ' N ' HG13 ' A' ' 99' ' ' VAL . 10.5 tp -128.7 86.74 2.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' TYR . . . . . 0.506 ' O ' ' C ' ' A' ' 102' ' ' LEU . 90.2 m-85 -62.64 96.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 111.043 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' LEU . . . . . 0.506 ' C ' ' O ' ' A' ' 101' ' ' TYR . 0.0 OUTLIER -32.22 -59.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 14.4 p -164.56 171.74 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 106' ' ' LEU . 0.5 OUTLIER 41.52 42.78 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 40.18 26.4 0.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.515 1.135 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 104' ' ' ASN . 28.6 mt -119.91 -170.2 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 0.764 . . . . 0.0 109.285 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' TYR . . . . . 0.493 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 11.3 m-85 37.45 58.89 4.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' PRO . . . . . 0.493 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.3 Cg_endo -74.97 -178.4 4.14 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.5 1.789 . . . . 0.0 110.958 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.2 mp -153.08 173.16 15.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.353 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 91.4 m -133.33 103.42 5.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.401 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 43.3 tp -60.31 130.84 48.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -133.19 168.09 19.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.303 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' TRP . . . . . 0.463 ' CB ' HD12 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -130.7 150.39 51.91 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' SER . . . . . 0.443 ' O ' ' NE1' ' A' ' 113' ' ' TRP . 5.1 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.05 108.9 12.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 0.742 . . . . 0.0 110.017 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.3 t -63.19 -58.44 7.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.029 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.62 -146.55 47.21 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 110.953 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.12 123.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 0.762 . . . . 0.0 109.992 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.4 m 63.25 161.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.39 -73.77 0.13 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.499 1.124 . . . . 0.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.2 mtp -168.45 156.35 8.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 0.764 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 175.17 135.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.027 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -168.65 124.97 0.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.4 mt -86.24 -65.25 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -130.97 -161.11 10.18 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -85.44 -30.49 23.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 0.758 . . . . 0.0 109.968 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 46.65 -172.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -177.56 -161.52 26.09 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -145.29 145.06 31.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.7 mt -84.61 150.07 25.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.36 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.527 ' CZ2' ' HB3' ' A' ' 112' ' ' ARG . 50.8 p-90 -166.83 169.29 13.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 108.012 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 11.1 mt -112.55 141.9 45.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -107.75 131.08 54.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.274 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.16 148.22 39.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.023 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 167.87 26.09 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.5 t -39.79 159.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.383 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 50.61 39.81 38.79 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.464 1.102 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.04 -179.81 16.29 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.32 14.71 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.5 1.789 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 173.53 14.35 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 0.0 111.024 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 107.43 2.48 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 mp -80.41 134.54 27.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -96.25 104.22 16.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.459 ' HB2' ' CB ' ' A' ' 62' ' ' ALA . 2.4 mt -53.36 153.88 6.68 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 123.77 8.14 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.475 1.776 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.408 ' C ' ' N ' ' A' ' 35' ' ' GLY . 90.3 p -79.59 -31.22 41.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.974 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -45.69 -26.29 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 33' ' ' SER . . . 115.41 -5.7 21.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -53.39 175.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 0.0 110.257 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.502 ' HB3' ' CG1' ' A' ' 61' ' ' ILE . . . -119.2 120.56 37.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.264 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 tp -93.99 101.64 13.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.47 ' CG1' ' HA ' ' A' ' 56' ' ' ASN . 1.7 t -72.62 126.92 34.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.3 mt -107.88 155.22 20.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.458 ' HA2' ' CD2' ' A' ' 102' ' ' LEU . . . 162.43 -153.6 24.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -64.01 139.51 58.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 110.332 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.84 -172.33 22.64 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.459 1.099 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -9.67 20.9 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.523 1.801 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mp -52.63 -60.89 2.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 61.2 p -114.9 7.42 15.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.434 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 65.6 20.27 11.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 16.0 t -83.52 129.86 36.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.5 p -129.86 28.62 5.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.419 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -92.6 125.28 37.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -29.51 44.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.403 ' O ' ' OD1' ' A' ' 77' ' ' ASN . 29.9 mmtt -62.34 -22.13 65.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.433 ' SG ' ' CD2' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -90.82 140.05 30.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 108.274 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -112.9 138.21 50.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 110.007 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.1 OUTLIER -38.39 -35.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.47 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.5 p30 -124.29 59.23 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -63.61 -47.05 83.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 110.344 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -146.16 167.74 7.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.481 ' HB2' ' CD1' ' A' ' 74' ' ' LEU . 6.5 tt0 -121.27 109.31 14.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.6 mp -93.4 141.28 28.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.502 ' CG1' ' HB3' ' A' ' 37' ' ' ALA . 21.2 mt -138.72 120.36 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.459 ' CB ' ' HB2' ' A' ' 31' ' ' LEU . . . -74.8 118.4 17.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -115.94 88.06 20.45 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.31 9.07 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.503 1.791 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.31 -38.05 89.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.254 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.5 m -144.05 29.4 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.028 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.16 55.78 8.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.269 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.8 p -134.89 175.25 9.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 98.9 t -148.21 132.27 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.25 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -93.59 140.61 29.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 94.4 t -128.04 130.97 69.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.9 ttpt -133.61 124.14 26.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 33.5 tt0 -79.12 120.13 23.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.481 ' CD1' ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -117.8 2.21 12.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -97.36 -148.17 23.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -118.73 -45.63 3.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 52' ' ' LYS . 2.2 m120 -62.2 138.28 96.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.257 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 122.64 7.36 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.537 1.809 . . . . 0.0 111.025 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -93.34 159.32 15.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.971 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.0 m -120.65 123.15 42.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.414 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.473 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 4.0 t -103.26 78.01 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 100.54 -93.6 1.21 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.4 p -134.18 16.99 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.766 . . . . 0.0 109.373 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.403 ' HG3' ' N ' ' A' ' 85' ' ' GLU . 1.9 tt0 -125.4 136.72 53.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.403 ' N ' ' HG3' ' A' ' 84' ' ' GLN . 1.0 OUTLIER -82.18 142.85 31.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.471 ' CD1' HG21 ' A' ' 81' ' ' VAL . 11.0 mt -101.33 -173.83 2.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -141.02 171.56 7.41 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 114.01 3.92 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.494 1.787 . . . . 0.0 111.003 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.59 2.11 61.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.445 1.091 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.1 tp -84.34 -178.86 7.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.297 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -160.13 141.62 12.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.058 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -140.63 -168.04 11.25 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.5 p -131.76 151.87 51.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.756 . . . . 0.0 109.993 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -126.17 130.18 50.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -94.57 165.41 12.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.413 ' CD1' ' HB3' ' A' ' 113' ' ' TRP . 4.3 mt -60.9 108.17 0.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 115.48 -28.03 8.08 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -56.93 154.48 9.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.289 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.422 HG11 ' N ' ' A' ' 100' ' ' LEU . 55.8 t -105.34 160.2 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.422 ' N ' HG11 ' A' ' 99' ' ' VAL . 29.7 tp -141.08 84.29 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.44 ' O ' ' C ' ' A' ' 102' ' ' LEU . 95.2 m-85 -62.21 99.99 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.458 ' CD2' ' HA2' ' A' ' 41' ' ' GLY . 0.1 OUTLIER -36.74 -59.52 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.444 ' CG2' ' N ' ' A' ' 104' ' ' ASN . 3.3 p -163.33 167.73 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.444 ' N ' ' CG2' ' A' ' 103' ' ' VAL . 0.6 OUTLIER 50.72 30.42 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.403 ' O ' ' CD1' ' A' ' 101' ' ' TYR . . . 50.97 20.59 4.49 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 66.9 mt -114.7 -171.91 2.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.446 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 14.9 m-85 43.87 61.78 10.17 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.446 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.2 Cg_endo -75.01 139.53 24.35 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.532 1.806 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.455 HD21 ' CD1' ' A' ' 102' ' ' LEU . 3.6 mm? -117.13 103.29 10.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 61.3 m -76.72 125.5 29.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 110.406 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 18.8 tp -81.87 128.82 34.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.527 ' HB3' ' CZ2' ' A' ' 18' ' ' TRP . 23.8 mmt180 -133.5 155.61 49.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.351 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.447 ' CD1' ' C ' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -129.32 133.58 47.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 108.018 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.445 ' N ' ' HE1' ' A' ' 18' ' ' TRP . 24.9 t -74.12 140.48 45.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -162.02 103.24 0.22 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 160.16 40.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 54.0 p -107.45 170.2 8.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.987 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.9 124.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.962 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.115 . . . . 0.0 110.982 179.945 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 m -129.47 117.84 21.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 110.008 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 p -174.36 115.77 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.23 -123.19 7.84 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.26 -58.5 2.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 0.778 . . . . 0.0 109.968 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.65 118.66 0.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.041 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.15 113.45 0.3 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 110.944 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.79 96.12 6.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.752 . . . . 0.0 110.995 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.94 87.73 1.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.028 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -161.19 127.29 3.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.346 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 mt -110.86 148.27 32.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.54 60.53 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.407 ' HB3' ' NH1' ' A' ' 16' ' ' ARG . 29.3 p -164.54 116.34 1.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.958 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -117.99 20.7 13.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.559 ' HA3' ' CZ2' ' A' ' 113' ' ' TRP . . . 150.22 115.24 0.72 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.407 ' NH1' ' HB3' ' A' ' 13' ' ' SER . 0.0 OUTLIER -97.86 141.3 31.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 110.276 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 mt -83.11 155.28 23.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 41.1 p-90 -167.05 171.32 11.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 108.016 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 23.3 mt -110.14 144.78 38.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -114.47 111.24 21.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.342 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.77 148.42 48.54 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 109.986 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 169.15 23.26 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.772 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.6 m -39.23 151.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.35 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 51.66 54.55 24.27 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -141.58 -174.04 14.21 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 173.54 14.31 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.534 1.808 . . . . 0.0 111.045 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 173.79 13.91 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.46 1.768 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 105.01 2.0 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.52 1.8 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.4 mp -78.85 129.35 37.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -98.74 115.38 28.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.456 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 0.3 OUTLIER -68.57 164.7 42.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.418 ' O ' ' CB ' ' A' ' 62' ' ' ALA . 18.2 Cg_endo -74.95 173.69 14.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.792 . . . . 0.0 111.021 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.1 p -120.84 -38.22 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -48.17 -30.65 4.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.22 -1.57 7.15 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -49.48 172.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 110.351 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.496 ' HB2' ' CG1' ' A' ' 61' ' ' ILE . . . -124.62 118.93 27.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.408 ' N ' ' O ' ' A' ' 60' ' ' LEU . 8.7 tp -90.99 109.21 20.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.093 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.474 ' CG1' ' HA ' ' A' ' 56' ' ' ASN . 1.8 t -80.41 133.29 29.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.3 mt -116.54 156.78 26.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.249 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.37 -160.85 33.08 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.458 1.099 . . . . 0.0 111.004 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -53.51 144.1 17.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 0.788 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 127.2 -171.37 18.76 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -3.25 13.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.486 1.782 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.422 HD22 ' N ' ' A' ' 45' ' ' LEU . 4.3 mm? -58.99 -61.37 2.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.3 p -115.39 7.68 15.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.429 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 64.82 20.19 12.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 8.8 t -83.05 133.81 28.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.1 p -116.82 -12.1 10.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.447 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -53.41 128.02 27.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -59.28 -47.65 84.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -46.64 -27.61 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.54 113.87 18.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 108.307 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.24 139.09 31.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.3 mtt-85 -38.48 -34.14 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.474 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.9 m120 -124.39 58.95 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.085 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 38.0 tp60 -65.79 -48.34 72.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.285 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 6.1 m -138.32 170.63 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.474 ' CG ' ' HB2' ' A' ' 37' ' ' ALA . 16.3 tt0 -128.82 108.09 10.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.445 HD23 ' CD2' ' A' ' 100' ' ' LEU . 3.3 mp -92.75 139.86 30.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.496 ' CG1' ' HB2' ' A' ' 37' ' ' ALA . 24.2 mt -134.29 125.88 48.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.451 ' CB ' ' HB2' ' A' ' 31' ' ' LEU . . . -75.62 125.79 29.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.63 86.57 52.69 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -3.33 13.77 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.57 1.826 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -64.88 -50.89 64.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -129.55 36.9 4.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.529 ' NH1' ' CZ2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER 41.69 54.94 3.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.9 p -133.0 177.45 7.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.479 HG21 ' CD1' ' A' ' 111' ' ' LEU . 95.0 t -150.11 125.91 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -86.02 145.34 27.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 90.5 t -130.71 138.89 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.1 ttpt -139.99 120.42 14.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.419 ' NE2' ' CA ' ' A' ' 88' ' ' PRO . 36.9 tt0 -78.28 113.71 16.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -107.93 3.24 23.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.1 -147.4 22.58 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 p -120.29 -47.88 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 0.773 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -62.69 139.84 97.02 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 124.74 8.84 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.465 1.771 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 86' ' ' LEU . 9.9 m -93.17 159.07 15.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.9 m -117.1 122.71 44.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.43 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.407 HG12 ' CD1' ' A' ' 94' ' ' LEU . 39.3 t -103.15 89.01 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.53 -92.79 1.75 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.498 1.123 . . . . 0.0 110.967 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.6 p -131.47 19.9 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.53 0.782 . . . . 0.0 109.315 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -125.1 146.27 49.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.22 139.21 31.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 79' ' ' SER . 10.7 mt -102.65 -172.91 2.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -143.67 170.55 8.3 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.419 ' CA ' ' NE2' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -75.01 96.23 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 116.77 -0.63 19.94 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.3 tp -85.23 -178.23 6.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.753 . . . . 0.0 109.286 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -159.46 143.52 14.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -143.63 -167.93 11.97 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.34 153.92 49.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 110.002 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.407 ' CD1' HG12 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -124.37 129.3 50.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 m -96.33 148.59 22.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 110.028 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.469 ' CD1' ' HB2' ' A' ' 113' ' ' TRP . 5.9 mt -43.86 110.46 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.409 1.068 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 112.29 -39.74 2.77 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -46.2 148.61 0.85 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 0.73 . . . . 0.0 109.255 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.418 HG13 ' N ' ' A' ' 100' ' ' LEU . 55.5 t -97.32 160.69 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.445 ' CD2' HD23 ' A' ' 60' ' ' LEU . 52.4 tp -142.97 84.83 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.439 ' O ' ' C ' ' A' ' 102' ' ' LEU . 95.3 m-85 -62.53 99.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.462 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -37.15 -59.89 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 5.2 p -161.24 178.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 42.44 32.3 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 49.84 20.59 3.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 41.5 mt -119.7 -170.97 2.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 0.744 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.475 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 2.7 m-85 48.62 60.3 15.75 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.475 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.4 Cg_endo -75.02 130.61 13.41 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.467 1.772 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.462 ' CD2' HD12 ' A' ' 102' ' ' LEU . 4.0 mm? -108.6 98.29 7.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 97.6 m -69.86 125.31 26.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 110.388 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.479 ' CD1' HG21 ' A' ' 69' ' ' VAL . 38.0 tp -82.62 126.01 31.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -124.65 162.73 23.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.57 ' CD1' ' O ' ' A' ' 114' ' ' SER . 7.6 t-105 -123.14 138.79 54.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 108.009 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.57 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 0.9 OUTLIER -89.6 152.77 21.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.004 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 140.95 -150.19 21.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 151.44 39.29 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.547 1.814 . . . . 0.0 110.981 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.1 t -173.1 100.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.953 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 36.9 p -97.94 102.78 14.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.033 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.425 1.078 . . . . 0.0 110.997 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -122.91 -58.59 1.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 109.994 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.1 m 62.66 78.85 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.965 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.94 94.92 0.17 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.9 m -120.74 146.1 46.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 0.0 110.006 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.1 m 61.9 138.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 110.022 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.79 60.54 0.21 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.97 150.33 16.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 110.947 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.8 p -43.96 107.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.986 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -171.02 93.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.8 mp -81.24 75.62 8.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.88 117.6 0.02 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.5 p -65.27 135.88 55.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 0.782 . . . . 0.0 110.008 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -63.52 166.23 6.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.261 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -42.93 132.33 5.19 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.433 ' HD2' ' CD2' ' A' ' 30' ' ' PHE . 3.8 ptt180 -126.39 149.4 49.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mt -80.31 156.94 26.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.445 ' CE3' ' HB2' ' A' ' 28' ' ' PRO . 50.1 p-90 -166.92 157.01 11.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 108.032 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.48 HD22 ' CD2' ' A' ' 31' ' ' LEU . 0.7 OUTLIER -96.04 143.34 27.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -107.12 101.06 10.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.35 148.18 49.07 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.997 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 152.98 41.56 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.489 1.784 . . . . 0.0 110.969 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.7 t -39.98 150.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 110.461 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.85 -38.91 3.16 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 0.0 110.939 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.04 -169.48 20.05 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.74 15.78 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.534 1.807 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 173.46 14.48 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.504 1.792 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . 0.445 ' HB2' ' CE3' ' A' ' 18' ' ' TRP . 18.3 Cg_endo -74.94 105.37 2.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.463 1.77 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 mp -78.63 141.3 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.433 ' CD2' ' HD2' ' A' ' 16' ' ' ARG . 52.7 m-85 -104.29 114.21 28.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.48 ' CD2' HD22 ' A' ' 19' ' ' LEU . 2.0 mt -64.53 160.44 52.08 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 124.48 8.64 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.3 m -78.43 -22.94 46.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.555 1.16 . . . . 0.0 110.009 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.01 -34.02 58.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.12 -11.08 6.19 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.513 1.133 . . . . 0.0 110.958 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -48.57 168.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 0.752 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.505 ' HB2' ' CG1' ' A' ' 61' ' ' ILE . . . -117.1 122.36 43.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.3 tp -92.28 99.64 12.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.5 t -70.61 116.97 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -93.45 173.34 7.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 140.14 -162.59 26.4 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -53.95 143.25 22.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 0.733 . . . . 0.0 110.289 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.51 -179.1 18.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.499 1.125 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.14 9.59 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mp -59.96 -60.36 3.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.475 ' OG1' ' CG2' ' A' ' 48' ' ' VAL . 43.5 p -114.62 8.33 16.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.435 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 66.99 15.97 10.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.475 ' CG2' ' OG1' ' A' ' 46' ' ' THR . 57.4 t -74.66 126.42 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 40.7 p -127.56 33.27 4.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -97.26 132.12 43.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.99 -31.18 72.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -62.91 -15.93 57.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.85 136.71 32.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 108.286 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -108.38 134.56 51.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.986 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.58 -31.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.247 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.422 ' N ' ' O ' ' A' ' 54' ' ' SER . 1.1 p30 -126.21 56.43 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 36.3 tp60 -61.79 -46.09 91.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.337 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 10.3 m -145.6 157.52 12.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.486 ' CG ' ' HB2' ' A' ' 37' ' ' ALA . 27.0 tt0 -113.55 99.62 7.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.1 mp -80.72 141.61 34.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.505 ' CG1' ' HB2' ' A' ' 37' ' ' ALA . 90.6 mt -139.93 116.21 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.463 ' CB ' ' HB2' ' A' ' 31' ' ' LEU . . . -74.55 120.93 20.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -121.99 84.42 44.89 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.568 1.168 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 0.57 8.74 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -64.89 -42.78 94.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.314 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.25 16.62 4.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.97 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.571 ' CD ' ' CZ3' ' A' ' 113' ' ' TRP . 7.5 mmt-85 60.21 69.22 0.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.6 p -148.99 174.8 11.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.429 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 93.5 t -146.95 125.88 4.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -87.99 146.03 25.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 87.0 t -137.41 111.94 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -112.65 120.75 42.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 31.6 tt0 -72.49 117.17 13.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.429 ' CD1' ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -119.51 8.06 11.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -101.0 -146.16 18.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -120.26 -51.34 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.449 0.735 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -63.52 141.38 97.87 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 126.83 10.23 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.468 1.773 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.0 m -97.61 159.25 15.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.1 m -119.04 108.23 14.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.402 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.484 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 8.1 t -87.38 73.41 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.361 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 105.05 -95.84 1.15 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.541 1.15 . . . . 0.0 110.993 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.1 p -132.43 16.62 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.435 0.727 . . . . 0.0 109.334 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -125.16 129.17 49.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.66 140.43 42.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.7 mt -101.6 -173.67 2.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.47 174.33 3.7 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 108.47 2.72 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.514 1.797 . . . . 0.0 111.03 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.4 1.14 55.62 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.545 1.153 . . . . 0.0 111.021 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.1 tp -88.67 -176.85 5.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 28.7 t -156.26 171.36 20.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -160.63 -167.76 21.59 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.449 1.093 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 92.2 p -138.62 129.98 27.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 0.747 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.453 ' CD1' ' HB2' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -104.19 129.06 51.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 60.4 m -98.42 165.36 11.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.981 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.405 HD23 ' N ' ' A' ' 113' ' ' TRP . 4.6 mt -59.17 105.15 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 116.16 -28.12 7.78 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.529 1.143 . . . . 0.0 110.953 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -57.52 148.37 24.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.744 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.518 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 60.0 t -99.06 160.87 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.453 ' HB2' ' CD1' ' A' ' 94' ' ' LEU . 18.2 tp -140.62 84.38 1.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.42 ' O ' ' C ' ' A' ' 102' ' ' LEU . 95.0 m-85 -60.43 99.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.42 ' C ' ' O ' ' A' ' 101' ' ' TYR . 0.1 OUTLIER -37.58 -58.27 0.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 9.1 p -163.2 172.88 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 43.2 36.41 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 46.84 22.89 1.28 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 30.0 mt -118.49 -171.41 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.46 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 3.6 m-85 43.0 60.77 10.22 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.518 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.02 138.85 23.53 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.509 1.794 . . . . 0.0 110.954 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -117.39 101.96 8.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 32.0 m -74.81 130.62 39.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.366 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 16.2 tp -83.19 134.94 34.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 23.4 mmt180 -139.53 151.79 46.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 110.284 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.571 ' CZ3' ' CD ' ' A' ' 67' ' ' ARG . 8.1 t-105 -110.57 141.87 43.17 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.4 t -95.16 143.95 26.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.022 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 153.14 -174.05 31.92 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 80.46 2.41 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.482 1.78 . . . . 0.0 111.035 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 61.8 m -102.8 -54.65 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.007 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.6 t 57.77 97.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.033 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 111.024 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -157.02 128.51 6.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t 63.61 144.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.68 -119.25 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.446 1.091 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t -161.48 -58.48 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 0.746 . . . . 0.0 110.029 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 p -147.5 158.04 43.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.04 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.49 73.29 1.28 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.563 1.165 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.0 141.17 30.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.758 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.1 p -176.18 139.3 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 0.0 109.988 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.5 99.28 5.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.96 -64.31 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.3 -144.66 4.14 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.6 t -102.1 -39.14 7.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.986 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 50.83 178.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.571 ' HA3' ' CZ2' ' A' ' 113' ' ' TRP . . . -76.29 169.79 54.86 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -142.0 129.37 21.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 0.0 110.335 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.2 mt -80.36 147.73 30.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.433 ' CB ' ' O ' ' A' ' 29' ' ' ILE . 53.2 p-90 -166.39 157.04 12.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 107.96 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.474 ' CD2' HD23 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -94.0 144.88 25.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -108.39 93.08 4.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.49 148.35 98.13 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 159.63 41.04 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.559 1.821 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 m -40.23 153.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.403 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.3 54.23 38.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.439 1.087 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.51 -172.48 23.14 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 173.63 14.18 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.468 1.772 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 173.69 14.07 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.499 1.789 . . . . 0.0 110.979 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 118.35 5.22 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.548 1.815 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.433 ' O ' ' CB ' ' A' ' 18' ' ' TRP . 2.7 mp -86.08 140.38 15.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.426 ' N ' HG23 ' A' ' 29' ' ' ILE . 40.2 m-85 -104.3 107.22 18.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.474 HD23 ' CD2' ' A' ' 19' ' ' LEU . 0.5 OUTLIER -63.61 164.0 17.93 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 152.49 40.63 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.515 1.798 . . . . 0.0 110.976 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.4 m -102.16 -27.3 12.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.009 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -50.09 -36.85 31.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.62 -6.82 5.88 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.438 1.086 . . . . 0.0 111.034 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -51.21 -179.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 0.782 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.463 ' CB ' HG12 ' A' ' 61' ' ' ILE . . . -130.0 123.31 30.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.9 tp -92.88 106.79 18.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.476 ' CG1' ' HA ' ' A' ' 56' ' ' ASN . 2.0 t -70.88 121.38 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.08 173.56 7.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.96 -165.21 25.69 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.501 1.125 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -46.75 148.59 1.0 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 0.786 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.84 178.39 15.46 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.453 1.096 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -8.48 20.12 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.806 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.2 mp -57.68 -59.95 4.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 63.2 p -106.89 -2.65 21.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.366 -179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 65.9 29.08 10.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 11.7 t -90.93 133.35 32.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 50' ' ' ASP . 39.4 p -119.17 -33.25 4.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.426 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 49' ' ' THR . 49.2 t0 -39.04 123.62 1.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -58.02 -22.49 50.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.402 ' O ' ' CG ' ' A' ' 77' ' ' ASN . 57.1 mmtt -60.78 -15.28 28.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.426 ' SG ' ' CD2' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -96.71 140.99 30.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 108.31 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -116.18 138.56 51.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -38.94 -40.64 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.266 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.476 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 4.1 m-20 -117.77 58.06 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.4 ' NE2' ' O ' ' A' ' 77' ' ' ASN . 45.9 tp60 -63.12 -51.22 67.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.338 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.6 m -141.96 163.89 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.456 ' CG ' ' HB3' ' A' ' 37' ' ' ALA . 3.5 tt0 -115.39 107.13 14.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -90.37 144.01 26.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.349 179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.463 HG12 ' CB ' ' A' ' 37' ' ' ALA . 69.5 mt -140.79 121.21 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 31' ' ' LEU . . . -78.85 118.87 21.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.78 86.43 30.22 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 0.31 9.06 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.491 1.785 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -47.63 84.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -137.72 31.84 2.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 109.951 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.608 ' CD ' ' CE3' ' A' ' 113' ' ' TRP . 6.5 mmt-85 50.71 67.41 0.94 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.464 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 6.8 p -146.16 177.26 9.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.437 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.464 ' CG2' ' O ' ' A' ' 68' ' ' THR . 99.6 t -155.64 141.67 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . 0.414 ' N ' HG12 ' A' ' 69' ' ' VAL . . . -103.2 144.84 30.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 86.0 t -132.95 114.5 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -116.61 119.09 34.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -74.97 112.29 11.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.43 ' CD1' ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -110.15 -5.28 15.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.241 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.12 -140.95 7.89 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.547 1.155 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -124.25 -53.08 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.442 ' CB ' HG22 ' A' ' 103' ' ' VAL . 3.1 m120 -53.86 137.26 55.26 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 124.67 8.81 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.492 1.785 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.8 m -95.01 159.2 15.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 110.042 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.2 m -122.43 108.51 13.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.417 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.6 t -89.47 83.57 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.3 -98.65 2.22 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.8 p -131.37 17.08 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.516 0.774 . . . . 0.0 109.223 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -125.15 132.33 53.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -75.88 145.08 40.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.0 mt -103.87 -172.52 2.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 10.5 mtpt -144.21 171.68 6.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 114.39 4.01 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.5 1.79 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.84 2.12 61.34 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.2 tp -83.97 -179.77 7.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.291 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.82 132.51 6.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.033 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -130.69 -169.4 12.46 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.538 1.148 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 26.7 m -133.05 152.23 51.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 0.797 . . . . 0.0 109.977 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.42 ' CD1' ' HB2' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -125.67 133.45 52.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.102 . . . . 0.0 109.346 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 74.9 m -99.01 170.61 8.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.005 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.0 mt -65.83 103.19 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 119.53 -22.87 8.65 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.36 156.84 18.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.751 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.442 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 75.2 t -107.05 159.56 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.42 ' HB2' ' CD1' ' A' ' 94' ' ' LEU . 37.7 tp -141.08 84.27 1.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.434 ' O ' ' C ' ' A' ' 102' ' ' LEU . 97.6 m-85 -60.15 99.77 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.462 ' CD1' HD22 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -37.85 -58.22 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.442 HG22 ' CB ' ' A' ' 77' ' ' ASN . 10.8 p -163.46 172.54 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.412 ' C ' ' N ' ' A' ' 106' ' ' LEU . 0.4 OUTLIER 43.35 38.71 1.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 43.96 24.55 0.53 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.412 ' N ' ' C ' ' A' ' 104' ' ' ASN . 28.3 mt -119.62 -171.27 2.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.461 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 4.7 m-85 42.12 60.5 9.27 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.461 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.5 Cg_endo -74.97 132.98 16.07 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.547 1.814 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.462 HD22 ' CD1' ' A' ' 102' ' ' LEU . 3.8 mm? -112.03 103.72 11.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 4.9 m -78.26 128.69 34.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.428 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.463 HD21 ' CG2' ' A' ' 69' ' ' VAL . 27.5 tp -78.75 137.16 37.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 22.7 mmt180 -135.27 175.53 9.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 110.283 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.608 ' CE3' ' CD ' ' A' ' 67' ' ' ARG . 1.6 t-105 -148.04 128.07 13.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 0.0 108.0 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.571 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 10.8 t -72.32 155.33 40.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -163.44 167.44 37.66 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.476 1.11 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 143.24 28.7 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.504 1.792 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 7.2 m 72.26 -69.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.031 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 74.57 84.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.097 . . . . 0.0 110.003 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.54 -58.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 0.745 . . . . 0.0 109.978 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.81 159.39 15.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.94 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.65 171.06 14.26 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.43 161.03 14.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 0.744 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 t -56.83 109.16 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.051 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.85 -92.15 0.15 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.519 1.137 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.88 119.59 1.02 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.6 t -90.39 139.97 30.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.975 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -159.67 107.23 1.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.7 mt 62.66 140.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -88.27 64.6 3.53 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.525 1.141 . . . . 0.0 111.034 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 65.6 p -60.75 170.9 1.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 0.737 . . . . 0.0 110.048 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.2 mtt-85 58.38 177.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.486 ' N ' ' CZ2' ' A' ' 113' ' ' TRP . . . -169.41 -160.65 18.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.135 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.29 138.59 29.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 0.786 . . . . 0.0 110.266 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mt -83.07 155.73 23.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 41.3 p-90 -166.94 174.41 8.48 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.9 mt -114.31 143.95 44.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -115.36 101.09 8.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.3 148.15 95.53 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.981 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 170.82 19.57 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.42 HG21 ' N ' ' A' ' 24' ' ' GLY . 7.4 t 45.77 -164.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.409 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.42 ' N ' HG21 ' A' ' 23' ' ' THR . . . -84.13 35.83 2.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.57 -145.01 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 171.65 17.89 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.797 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 173.81 13.88 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.459 1.768 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 104.99 2.0 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.2 mp -77.67 124.11 35.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.235 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -89.63 110.54 21.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 111.031 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.458 ' HB2' ' CB ' ' A' ' 62' ' ' ALA . 2.0 mt -62.13 161.33 24.68 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 126.62 10.08 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.522 1.801 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.2 m -86.22 -27.65 24.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.48 -38.66 63.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 138.65 -12.86 3.44 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -49.18 176.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.759 . . . . 0.0 110.271 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.49 ' HB3' ' CG1' ' A' ' 61' ' ' ILE . . . -125.34 125.97 44.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.1 tp -92.62 106.77 18.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.331 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.0 t -76.37 111.35 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.462 ' HG ' ' CG2' ' A' ' 46' ' ' THR . 1.4 mp -95.55 158.46 15.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 155.39 -155.47 26.28 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -61.13 142.97 56.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 0.794 . . . . 0.0 110.296 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 128.98 -170.32 20.15 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -1.76 11.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.779 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.429 HD21 ' N ' ' A' ' 45' ' ' LEU . 4.3 mm? -59.15 -61.8 2.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.462 ' CG2' ' HG ' ' A' ' 40' ' ' LEU . 69.6 p -117.51 9.79 13.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 64.93 18.35 11.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 54.5 t -81.63 134.39 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 48.2 p -130.05 28.21 5.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.374 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -88.94 127.95 35.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -54.17 -44.24 71.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -53.63 -28.41 32.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -79.44 124.1 28.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 108.278 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -102.43 141.17 35.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 54' ' ' SER . 18.3 mtp180 -38.19 -38.47 0.34 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.521 ' ND2' ' H ' ' A' ' 56' ' ' ASN . 0.1 OUTLIER -122.02 62.27 0.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 40.5 tp60 -70.31 -34.55 72.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.0 m -151.22 169.43 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 109.312 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.441 ' N ' ' O ' ' A' ' 72' ' ' LYS . 4.1 tt0 -128.96 105.2 8.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.9 mp -90.39 141.01 29.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.49 ' CG1' ' HB3' ' A' ' 37' ' ' ALA . 40.7 mt -140.77 117.04 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.458 ' CB ' ' HB2' ' A' ' 31' ' ' LEU . . . -74.49 127.59 33.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -126.15 87.29 56.42 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.73 8.56 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.467 1.772 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.38 -48.14 62.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.7 m -125.73 24.3 7.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.005 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.564 ' HD3' ' CZ3' ' A' ' 113' ' ' TRP . 0.2 OUTLIER 51.19 54.31 11.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.9 p -138.2 172.29 13.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.143 . . . . 0.0 110.409 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.417 HG21 ' CD2' ' A' ' 111' ' ' LEU . 84.1 t -141.18 128.56 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.28 145.98 27.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 38.6 t -132.97 137.39 53.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.441 ' O ' ' N ' ' A' ' 59' ' ' GLU . 3.6 ttpt -145.49 124.92 13.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -84.06 118.58 24.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 110.28 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.437 ' CD2' ' HG2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -109.83 -1.34 17.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.55 -145.17 15.68 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -121.95 -50.91 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.782 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -56.56 139.43 75.42 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 122.07 6.97 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.801 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.0 m -90.92 158.66 16.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.984 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 86.9 m -118.11 120.54 38.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 76.0 t -101.29 90.22 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.4 -92.39 1.72 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.7 p -132.8 20.31 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 0.743 . . . . 0.0 109.307 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -125.12 148.0 48.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.69 141.69 28.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.3 mt -105.84 -172.37 2.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -143.62 169.44 10.42 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.292 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 95.76 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 111.023 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 117.13 1.59 18.77 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.0 tp -86.01 -177.77 6.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 109.329 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -158.99 139.67 12.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.008 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -138.49 -167.91 11.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.68 146.79 51.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.775 . . . . 0.0 109.959 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -119.57 129.68 54.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.2 m -98.2 163.67 12.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.043 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.455 HD11 ' CB ' ' A' ' 113' ' ' TRP . 2.3 mt -56.14 107.84 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 114.89 -35.18 4.52 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.95 150.64 2.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.452 HG12 ' CB ' ' A' ' 108' ' ' PRO . 40.3 t -104.05 157.37 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.415 ' N ' HG11 ' A' ' 99' ' ' VAL . 49.9 tp -137.66 84.44 2.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.337 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.435 ' O ' ' C ' ' A' ' 102' ' ' LEU . 90.2 m-85 -61.94 98.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.46 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -37.47 -58.33 0.86 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 9.9 p -163.08 174.96 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 43.8 34.17 0.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 47.61 22.52 1.81 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 40.0 mt -119.84 -171.19 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 109.25 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.47 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 3.0 m-85 47.33 60.38 15.25 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.47 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.3 Cg_endo -74.97 126.78 10.21 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.508 1.794 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.46 ' CD2' HD12 ' A' ' 102' ' ' LEU . 3.8 mm? -105.16 88.01 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 86.6 m -62.51 131.23 48.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.399 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.417 ' CD2' HG21 ' A' ' 69' ' ' VAL . 11.1 tp -82.14 127.96 33.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 30.5 mmt180 -130.82 157.03 43.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.564 ' CZ3' ' HD3' ' A' ' 67' ' ' ARG . 2.0 t-105 -118.29 147.59 43.3 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.401 ' O ' ' NE1' ' A' ' 113' ' ' TRP . 0.3 OUTLIER -99.53 134.72 42.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 110.009 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 162.36 165.99 20.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.115 . . . . 0.0 111.045 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 139.27 23.97 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 33.2 t 63.84 101.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.971 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.3 p -135.6 124.49 24.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.996 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 p -113.66 141.39 47.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 110.018 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 51.42 89.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.025 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.53 121.0 4.71 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -113.99 -60.12 1.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 110.016 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.66 160.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.031 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.68 97.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -171.13 119.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.9 p -161.04 167.28 26.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.027 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -128.68 96.25 4.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 mt -120.75 167.81 12.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -147.82 134.52 5.16 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.441 1.088 . . . . 0.0 111.043 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.7 m -72.6 118.22 15.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 0.76 . . . . 0.0 109.942 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.7 mmt-85 -135.21 171.89 13.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -175.47 -156.39 14.55 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.446 1.091 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.482 ' HD2' ' CE1' ' A' ' 30' ' ' PHE . 1.3 ptt-85 -145.68 136.45 24.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 0.768 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 mt -78.01 157.98 29.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 22.4 p-90 -166.94 171.48 11.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 107.963 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.9 mt -114.09 139.83 48.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -112.67 105.11 13.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 p -96.79 148.28 34.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.02 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 168.74 24.14 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.516 1.798 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.461 ' CG2' ' N ' ' A' ' 24' ' ' GLY . 1.4 m 63.6 168.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.42 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.461 ' N ' ' CG2' ' A' ' 23' ' ' THR . . . -87.96 31.74 4.57 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 24' ' ' GLY . . . -59.56 -122.93 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 162.64 36.88 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 173.59 14.25 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.513 1.796 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 123.67 8.03 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 mp -94.23 131.57 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.482 ' CE1' ' HD2' ' A' ' 16' ' ' ARG . 42.1 m-85 -101.54 110.87 22.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.448 ' CD2' ' N ' ' A' ' 31' ' ' LEU . 2.1 mt -61.23 156.53 49.68 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 135.97 19.85 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.467 1.772 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 m -88.98 -31.32 18.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.039 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -46.52 -29.68 1.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.33 -0.16 12.75 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.517 1.135 . . . . 0.0 110.987 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 30.6 mt-30 -57.23 167.14 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.304 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.451 ' HB2' ' CG ' ' A' ' 59' ' ' GLU . . . -115.27 120.47 39.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.6 tp -98.41 114.91 27.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.456 ' CG1' ' HA ' ' A' ' 56' ' ' ASN . 2.3 t -87.45 129.35 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.4 mt -101.15 172.35 7.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.91 -154.27 25.44 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.485 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 0.6 OUTLIER -68.01 137.38 55.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 110.295 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.16 -175.42 23.99 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -0.18 9.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.566 1.824 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mp -61.01 -60.49 3.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 56.0 p -114.62 9.09 16.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.443 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 65.19 23.09 12.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.087 . . . . 0.0 110.274 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 85.3 t -86.59 129.54 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.5 p -131.19 20.19 4.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.442 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -79.76 138.9 37.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.361 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -64.35 -22.73 67.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -70.21 -27.41 64.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.425 ' SG ' ' CG1' ' A' ' 103' ' ' VAL . 0.1 OUTLIER -81.84 132.25 35.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 108.292 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -108.84 137.09 47.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.036 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -37.68 -36.72 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.456 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.0 m-80 -125.1 65.55 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 38.9 tp60 -70.36 -60.92 1.99 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.8 m -137.3 162.34 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.308 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.474 ' HB2' ' CD1' ' A' ' 74' ' ' LEU . 11.3 tt0 -112.39 125.23 53.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.7 mp -107.39 122.29 46.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.52 ' CD1' ' N ' ' A' ' 61' ' ' ILE . 0.3 OUTLIER -123.85 117.36 50.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.412 ' CB ' ' HB2' ' A' ' 31' ' ' LEU . . . -75.0 126.86 31.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -121.25 89.92 47.02 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -0.66 10.26 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.523 1.802 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -60.16 -44.36 95.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 m -139.21 22.55 2.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.0 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.521 ' HD3' ' CZ3' ' A' ' 113' ' ' TRP . 18.7 mmt85 59.82 63.57 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.6 p -141.53 174.37 10.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.391 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.6 t -147.32 136.72 16.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -95.47 145.0 25.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 80.7 t -131.5 116.08 30.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -124.37 121.8 35.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 33.9 tt0 -77.0 116.71 17.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.474 ' CD1' ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -112.31 -0.05 15.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -95.95 -146.75 21.48 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -119.14 -45.41 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -61.41 137.97 94.71 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 125.18 9.18 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.504 1.791 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -95.11 159.24 15.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.944 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 72.1 m -122.4 123.68 41.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.417 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.455 HG23 ' CD1' ' A' ' 86' ' ' LEU . 52.9 t -100.4 88.06 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.88 -92.51 1.81 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.1 p -131.86 19.83 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 0.779 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -125.03 145.02 50.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -92.78 142.34 27.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.455 ' CD1' HG23 ' A' ' 81' ' ' VAL . 11.3 mt -103.43 -172.46 2.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.372 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.2 mtpp -143.83 172.08 6.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 113.15 3.73 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.455 1.766 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.12 0.82 59.76 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.2 tp -83.34 -178.76 7.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.32 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.4 141.82 15.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.982 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.42 -167.85 11.31 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 81.7 p -133.68 153.87 51.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.76 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.47 ' CD1' ' HB2' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -126.75 126.35 43.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.9 m -90.96 158.19 16.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 110.038 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.6 mt -55.48 103.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 119.34 -24.25 8.22 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.115 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -60.97 151.69 29.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 0.755 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.48 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 46.9 t -101.28 162.22 3.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.47 ' HB2' ' CD1' ' A' ' 94' ' ' LEU . 64.1 tp -143.51 84.9 1.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.453 ' CD1' ' O ' ' A' ' 105' ' ' GLY . 98.1 m-85 -60.89 100.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.45 HD13 ' CD2' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -36.78 -59.88 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.46 ' CG2' ' N ' ' A' ' 104' ' ' ASN . 2.8 p -165.1 167.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.155 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.46 ' N ' ' CG2' ' A' ' 103' ' ' VAL . 0.7 OUTLIER 53.34 26.88 5.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.353 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.453 ' O ' ' CD1' ' A' ' 101' ' ' TYR . . . 54.73 17.46 9.1 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.48 1.113 . . . . 0.0 111.037 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 89.9 mt -112.24 -170.91 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.439 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 15.1 m-85 42.68 62.1 8.6 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.48 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.1 Cg_endo -75.07 128.29 11.31 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.513 1.796 . . . . 0.0 110.953 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.45 ' CD2' HD13 ' A' ' 102' ' ' LEU . 4.2 mm? -108.17 108.94 20.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.246 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 53.5 m -82.64 132.81 35.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 110.405 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 15.6 tp -86.21 130.23 34.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -134.76 157.27 47.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.521 ' CZ3' ' HD3' ' A' ' 67' ' ' ARG . 3.2 t-105 -123.49 136.07 54.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 108.046 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.4 t -85.12 135.15 34.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.953 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -179.19 104.49 0.19 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 64.39 6.08 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.46 1.769 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 78.8 p -174.58 72.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.12 116.9 29.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.023 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 0.0 110.941 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.83 147.81 5.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 0.767 . . . . 0.0 109.981 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.3 t -135.78 156.51 48.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.98 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.23 66.47 0.57 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.533 1.146 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.68 167.03 22.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 110.013 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.5 p -90.45 83.05 5.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.0 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.94 134.09 0.15 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.517 1.135 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -115.98 -55.94 2.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 0.768 . . . . 0.0 110.958 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t -96.27 99.3 11.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.988 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.9 tm0? -174.93 89.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 mt -41.24 129.55 2.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.04 57.85 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.129 . . . . 0.0 111.03 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.4 m -120.49 160.02 23.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.56 0.8 . . . . 0.0 110.014 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -70.89 129.26 38.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.42 ' HA3' ' CE2' ' A' ' 113' ' ' TRP . . . -51.66 179.21 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.493 1.12 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -133.09 134.45 44.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 0.763 . . . . 0.0 110.292 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 mt -84.34 141.41 30.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 53.6 p-90 -160.66 164.01 32.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 107.97 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 mt -103.41 142.99 33.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -114.16 93.36 4.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 p -77.88 148.36 75.51 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.019 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 168.29 25.16 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.45 1.763 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.479 ' CG2' ' N ' ' A' ' 24' ' ' GLY . 1.6 m 63.2 169.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.409 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.479 ' N ' ' CG2' ' A' ' 23' ' ' THR . . . -86.93 29.51 5.03 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.16 -119.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.46 ' CG ' ' HG3' ' A' ' 47' ' ' GLN . 18.2 Cg_endo -74.99 155.8 43.01 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.525 1.803 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 173.79 13.89 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.466 1.772 . . . . 0.0 111.059 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 112.75 3.63 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.539 1.81 . . . . 0.0 111.039 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.64 135.55 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -96.78 108.24 20.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.47 ' HB2' ' CB ' ' A' ' 62' ' ' ALA . 2.0 mt -56.0 152.52 20.82 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 118.87 5.41 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.469 1.773 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.3 t -77.0 -27.37 54.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.993 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -49.36 -28.96 5.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.52 -7.79 12.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -53.95 171.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.477 ' HB3' ' CG1' ' A' ' 61' ' ' ILE . . . -114.7 118.19 32.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.4 tp -91.08 105.11 17.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.6 t -76.2 122.2 29.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 12.7 mt -106.89 157.26 17.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.28 -150.84 21.23 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 0.5 OUTLIER -64.01 136.13 57.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 110.341 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 139.08 -169.82 24.31 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.52 1.138 . . . . 0.0 110.968 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -1.8 11.71 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.443 HD22 ' N ' ' A' ' 45' ' ' LEU . 4.3 mm? -59.15 -61.84 2.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.443 ' OG1' ' CG2' ' A' ' 48' ' ' VAL . 73.2 p -117.87 10.85 13.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.379 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.46 ' HG3' ' CG ' ' A' ' 26' ' ' PRO . 2.4 mm-40 66.04 16.77 10.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.336 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.443 ' CG2' ' OG1' ' A' ' 46' ' ' THR . 88.3 t -79.26 130.24 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.4 p -131.05 25.41 4.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.38 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.04 145.22 25.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -66.03 -40.46 91.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.0 mmtm -55.71 -19.39 10.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -89.96 129.81 36.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 108.305 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -108.65 136.49 48.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 110.051 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -38.17 -35.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.344 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.6 p30 -123.86 57.56 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.413 ' NE2' ' O ' ' A' ' 77' ' ' ASN . 40.4 tp60 -62.2 -44.79 95.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.346 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.0 m -149.28 157.56 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.472 ' CG ' ' HB3' ' A' ' 37' ' ' ALA . 31.7 tt0 -111.22 108.0 17.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 3.6 mp -90.1 136.39 33.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.477 ' CG1' ' HB3' ' A' ' 37' ' ' ALA . 24.3 mt -135.85 114.98 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.47 ' CB ' ' HB2' ' A' ' 31' ' ' LEU . . . -74.64 124.99 27.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.71 88.63 39.89 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.97 8.25 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.52 1.8 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -81.36 -23.15 37.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.259 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -146.83 25.33 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.024 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? 42.4 46.25 4.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.4 p -125.2 176.22 6.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.408 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.425 ' O ' ' N ' ' A' ' 94' ' ' LEU . 86.9 t -151.85 123.49 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.91 145.92 26.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 38.3 t -133.13 109.69 14.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 6.3 ttmt -109.48 129.43 55.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -84.87 115.12 22.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -116.38 8.01 14.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -101.91 -153.1 25.28 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.544 1.152 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.2 p -114.87 -47.62 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 0.782 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.413 ' O ' ' NE2' ' A' ' 57' ' ' GLN . 1.9 m120 -64.3 137.33 97.09 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 129.08 12.02 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.515 1.797 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.0 m -102.04 159.35 15.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.571 1.169 . . . . 0.0 110.041 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.4 m -117.01 120.05 37.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.429 HG11 ' CD1' ' A' ' 94' ' ' LEU . 35.9 t -98.03 81.0 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.11 -92.89 1.38 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.1 p -133.96 15.06 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -125.02 136.28 53.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.8 143.18 33.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.5 mt -101.32 -177.12 3.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -137.91 169.78 12.1 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 110.2 3.07 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.48 1.779 . . . . 0.0 111.012 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.6 3.65 56.19 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.2 tp -85.95 179.27 7.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 0.761 . . . . 0.0 109.277 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.38 133.77 8.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.032 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -134.59 -167.77 11.54 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -133.26 152.05 51.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 109.985 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.429 ' CD1' HG11 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -124.34 128.45 49.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.328 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 43.9 m -92.68 161.98 14.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.954 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 4.7 mt -57.05 110.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 113.69 -34.04 5.2 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -50.32 150.31 2.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.786 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.539 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 91.3 t -99.37 159.52 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 37.0 tp -140.78 84.57 1.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.439 ' O ' ' C ' ' A' ' 102' ' ' LEU . 96.5 m-85 -61.22 98.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 101' ' ' TYR . 0.1 OUTLIER -37.4 -58.53 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 8.2 p -161.9 173.25 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 42.83 35.7 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.402 ' O ' ' CD1' ' A' ' 101' ' ' TYR . . . 47.53 22.36 1.67 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 40.5 mt -118.09 -171.42 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.74 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.459 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 3.9 m-85 43.22 60.6 10.63 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.539 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.02 127.93 11.06 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.504 1.792 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.41 ' CD2' ' O ' ' A' ' 107' ' ' TYR . 3.4 mm? -104.64 96.36 6.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 29.6 m -68.4 133.43 48.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.454 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 64.9 tp -89.37 129.07 35.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -130.7 169.66 15.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.307 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.42 ' CE2' ' HA3' ' A' ' 15' ' ' GLY . 0.4 OUTLIER -138.81 129.93 26.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 108.012 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.5 t -75.89 127.98 34.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -153.23 156.3 26.65 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 154.56 42.9 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.524 1.802 . . . . 0.0 111.04 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.2 t 62.21 96.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 40.0 p -137.7 160.41 39.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.567 1.167 . . . . 0.0 110.022 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 p -47.38 167.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 0.756 . . . . 0.0 109.976 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t -113.23 -58.91 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.041 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.32 -152.85 21.88 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.49 142.7 28.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 0.742 . . . . 0.0 110.024 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -108.94 117.05 33.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.025 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.99 132.88 3.05 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.33 112.08 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 0.776 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.2 t -149.1 143.74 26.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.022 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -177.03 129.9 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -105.01 164.76 11.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.6 -133.41 6.67 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.469 1.105 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.3 m -142.09 156.43 45.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 0.0 110.033 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -120.64 160.38 23.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 110.314 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.57 ' HA3' ' CZ2' ' A' ' 113' ' ' TRP . . . -54.14 175.94 0.39 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.55 1.156 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -140.27 128.28 22.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 0.783 . . . . 0.0 110.241 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mt -82.19 138.46 34.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 52.6 p-90 -159.93 160.12 33.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 107.958 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.465 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -98.82 148.05 24.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -113.56 109.52 18.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.77 148.3 51.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.987 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 169.44 22.6 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.5 t -44.43 148.37 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.387 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.42 46.0 94.74 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.509 1.13 . . . . 0.0 110.995 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -141.99 -177.35 17.02 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.46 14.48 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.53 1.805 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.4 14.58 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 113.38 3.78 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.535 1.808 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.9 mp -78.16 132.99 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -98.18 102.45 14.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.465 HD22 ' CD2' ' A' ' 19' ' ' LEU . 2.1 mt -58.73 159.29 13.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 152.68 40.75 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.484 1.781 . . . . 0.0 110.966 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.404 ' C ' ' N ' ' A' ' 35' ' ' GLY . 86.0 p -97.65 -35.74 10.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -45.41 -27.43 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 33' ' ' SER . . . 116.79 -3.58 19.44 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -50.42 172.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.76 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.49 ' CB ' ' CG1' ' A' ' 61' ' ' ILE . . . -120.96 122.77 40.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.6 tp -95.77 109.01 21.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.438 ' CG1' ' HA ' ' A' ' 56' ' ' ASN . 1.5 t -71.58 133.71 31.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.4 mt -112.67 167.25 10.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.99 -156.72 27.05 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -54.98 150.66 9.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.736 . . . . 0.0 110.283 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.7 -178.46 16.8 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.538 1.149 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -3.47 13.98 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.403 ' N ' HD11 ' A' ' 45' ' ' LEU . 0.4 OUTLIER -59.82 -61.27 2.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.3 p -109.05 6.3 24.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 63.1 26.52 15.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.467 HG11 ' CB ' ' A' ' 53' ' ' CYS . 40.6 t -92.64 129.16 43.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.3 p -118.04 -9.07 10.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.398 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -51.63 152.34 2.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.5 mtm180 -80.43 -33.58 36.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -61.59 -15.08 35.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.467 ' CB ' HG11 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -88.78 125.9 35.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.317 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.83 136.9 44.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.015 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.84 -35.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 110.332 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.438 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 1.2 m-20 -125.7 58.57 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -61.86 -50.25 73.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.3 m -139.74 171.16 14.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.473 ' CG ' ' HB3' ' A' ' 37' ' ' ALA . 2.5 tt0 -122.15 109.15 14.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.452 ' CD1' HD22 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -93.06 140.93 28.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 0.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.49 ' CG1' ' CB ' ' A' ' 37' ' ' ALA . 27.0 mt -139.4 121.42 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.451 ' CB ' ' HB2' ' A' ' 31' ' ' LEU . . . -75.81 121.29 22.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.03 86.11 36.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.37 9.0 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.24 -43.51 94.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 m -137.3 26.94 2.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.005 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.561 ' HD3' ' CZ3' ' A' ' 113' ' ' TRP . 1.1 mmm-85 53.39 56.93 6.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.32 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 18.7 p -136.86 176.1 9.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.405 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.402 ' CG2' HD22 ' A' ' 111' ' ' LEU . 89.9 t -151.32 137.94 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -92.78 146.07 23.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 41.5 t -132.58 104.07 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -109.44 121.19 44.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.415 ' NE2' ' HA ' ' A' ' 88' ' ' PRO . 38.7 tt0 -77.73 116.16 18.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -109.2 -6.76 15.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -87.11 -142.84 7.61 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.558 1.161 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -126.58 -44.3 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 0.786 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -63.81 141.37 97.97 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 124.82 8.92 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.796 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -96.49 159.12 15.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.046 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.8 m -117.3 118.41 32.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.353 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.47 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 6.7 t -99.38 75.56 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 99.16 -95.52 1.56 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.8 p -129.63 19.12 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.753 . . . . 0.0 109.347 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -124.97 142.83 51.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.98 133.02 36.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.265 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.5 mt -95.3 -172.52 2.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -143.83 169.34 10.53 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.415 ' HA ' ' NE2' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -74.93 96.73 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.476 1.777 . . . . 0.0 111.04 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 115.4 4.32 20.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.9 tp -89.68 178.81 6.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 0.774 . . . . 0.0 109.305 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.93 133.82 12.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.958 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -135.51 -168.69 11.65 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 13.6 m -134.84 152.4 51.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 0.786 . . . . 0.0 109.978 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.461 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -121.17 130.86 53.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.94 147.09 24.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.98 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.461 HD21 ' CB ' ' A' ' 113' ' ' TRP . 2.1 mt -43.71 110.25 0.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.142 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 112.97 -36.25 4.18 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.485 1.116 . . . . 0.0 110.957 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -50.82 149.62 3.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 0.747 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.434 HG13 ' CB ' ' A' ' 108' ' ' PRO . 94.8 t -97.35 166.69 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.452 HD22 ' CD1' ' A' ' 60' ' ' LEU . 47.8 tp -147.86 84.82 1.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.468 ' CD1' ' O ' ' A' ' 105' ' ' GLY . 99.0 m-85 -61.81 100.29 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.44 ' C ' ' O ' ' A' ' 101' ' ' TYR . 0.0 OUTLIER -36.08 -59.88 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.46 ' CG2' ' N ' ' A' ' 104' ' ' ASN . 2.8 p -164.88 167.51 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.46 ' N ' ' CG2' ' A' ' 103' ' ' VAL . 0.7 OUTLIER 52.85 28.2 6.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.468 ' O ' ' CD1' ' A' ' 101' ' ' TYR . . . 53.78 18.42 8.25 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.477 1.111 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 70.1 mt -112.03 -171.57 1.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 0.744 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.495 ' O ' ' CD2' ' A' ' 109' ' ' LEU . 11.6 m-85 43.29 61.49 9.89 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.452 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.2 Cg_endo -75.0 121.3 6.49 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.51 1.794 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 107' ' ' TYR . 3.7 mm? -101.25 118.89 37.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 22.5 m -91.86 126.08 36.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.43 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.402 HD22 ' CG2' ' A' ' 69' ' ' VAL . 52.5 tp -79.72 129.32 34.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -127.53 165.51 19.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.263 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.57 ' CZ2' ' HA3' ' A' ' 15' ' ' GLY . 1.6 t-105 -138.48 132.02 30.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 107.989 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.481 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 4.6 t -77.93 146.27 35.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 147.42 137.01 2.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.125 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 154.02 42.17 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.491 1.785 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 51.7 p -104.95 -58.56 1.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.969 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.5 t -73.33 151.04 41.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.82 142.43 33.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 0.795 . . . . 0.0 109.982 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.8 m -139.87 -58.72 0.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 110.013 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.36 141.29 3.21 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.24 -58.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 0.793 . . . . 0.0 109.937 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.73 150.21 21.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.006 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.94 -120.11 0.5 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.6 mtm -144.01 171.4 14.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.5 p -178.5 92.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.944 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.8 75.12 0.95 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.344 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.2 mt -122.26 -72.31 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.07 104.7 0.22 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.54 1.15 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.1 p -71.56 -50.1 34.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 110.01 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.543 ' O ' ' CH2' ' A' ' 113' ' ' TRP . 53.0 mtt85 -133.87 95.17 3.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.559 ' HA3' ' CZ2' ' A' ' 113' ' ' TRP . . . 60.15 127.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.425 ' HG3' ' CD2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -106.35 133.18 51.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 110.28 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.6 mt -75.91 161.35 29.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.323 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 36.3 p-90 -166.47 172.91 10.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 108.025 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 9.4 mt -118.84 144.36 46.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -115.78 105.28 12.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.351 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 p -79.0 146.91 69.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 110.024 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 149.28 36.44 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 110.982 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.467 ' CG2' ' N ' ' A' ' 24' ' ' GLY . 0.5 OUTLIER 72.7 -176.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.417 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.467 ' N ' ' CG2' ' A' ' 23' ' ' THR . . . -82.03 40.14 2.65 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.554 1.159 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.96 -139.61 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 170.16 21.02 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.47 1.774 . . . . 0.0 110.946 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 173.43 14.53 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.447 1.762 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 103.94 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 110.987 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.4 mp -77.62 128.5 38.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . 0.425 ' CD2' ' HG3' ' A' ' 16' ' ' ARG . 64.0 m-85 -94.4 112.54 24.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.452 ' HB2' ' CB ' ' A' ' 62' ' ' ALA . 0.7 OUTLIER -64.6 162.58 33.98 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.08 148.44 34.97 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.457 1.767 . . . . 0.0 110.969 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 m -111.12 -5.41 14.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.003 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -79.46 -10.37 59.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.93 -18.53 16.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -47.11 170.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 0.771 . . . . 0.0 110.313 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.49 ' CB ' HG12 ' A' ' 61' ' ' ILE . . . -125.02 128.76 49.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.6 tp -92.24 99.11 11.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.6 t -70.8 111.87 5.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.361 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 mp -92.83 174.51 7.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.99 -158.75 27.73 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -56.79 150.57 15.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 0.791 . . . . 0.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 125.19 -176.61 17.14 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.555 1.159 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.4 8.96 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.483 1.781 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.4 mp -59.84 -60.11 4.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 69.2 p -116.33 8.81 14.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.376 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 67.47 17.24 10.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 68.9 t -79.45 129.53 37.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.3 p -130.42 18.22 5.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.41 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.24 131.47 35.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -62.05 -30.01 70.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.297 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -60.37 -18.36 49.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.2 OUTLIER -86.41 171.25 11.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 108.313 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -145.41 136.33 24.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.994 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.1 OUTLIER -38.47 -31.79 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.423 ' N ' ' O ' ' A' ' 54' ' ' SER . 3.8 p30 -129.28 62.44 1.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -67.43 -44.42 78.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 7.6 m -146.88 157.33 10.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.479 ' CG ' ' HB2' ' A' ' 37' ' ' ALA . 23.7 tt0 -114.2 101.39 9.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.254 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -81.67 144.2 31.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.49 HG12 ' CB ' ' A' ' 37' ' ' ALA . 93.0 mt -140.87 113.88 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.452 ' CB ' ' HB2' ' A' ' 31' ' ' LEU . . . -74.65 126.21 30.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -124.79 86.02 56.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 1.19 8.02 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.514 1.797 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -76.15 -25.65 55.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.8 m -144.58 17.72 1.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.97 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 51.33 57.17 6.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.6 p -138.29 176.41 8.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.398 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.416 ' CG2' HD21 ' A' ' 111' ' ' LEU . 66.9 t -146.7 136.85 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -101.16 139.32 37.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.33 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.452 HG21 ' CD1' ' A' ' 94' ' ' LEU . 48.4 t -128.15 113.38 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -112.3 116.72 30.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -71.37 119.1 15.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.423 ' CD1' ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -122.43 10.43 9.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -100.75 -146.45 19.2 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.52 1.137 . . . . 0.0 111.04 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.3 p -120.0 -49.22 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -68.58 141.97 93.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 128.83 11.85 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.9 m -97.72 159.17 15.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.019 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.9 m -115.99 117.75 31.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.37 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 40.2 t -98.52 78.28 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 99.46 -94.71 1.42 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.3 p -132.08 17.94 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -125.1 143.28 51.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.36 133.44 34.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.0 mt -93.0 -172.8 3.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -145.22 172.21 5.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 112.24 3.51 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.488 1.783 . . . . 0.0 110.978 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.17 4.15 58.65 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.4 tp -86.78 179.64 6.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.762 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.93 132.76 8.52 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.974 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -132.58 -172.07 12.93 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.495 1.122 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 59.7 p -130.76 153.14 49.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 0.77 . . . . 0.0 110.019 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.468 ' CD1' ' HB2' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -125.03 128.45 48.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.85 151.15 19.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.008 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.421 HD21 ' N ' ' A' ' 113' ' ' TRP . 2.5 mt -46.11 108.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 115.49 -37.34 3.5 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -49.41 151.49 1.52 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 0.782 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.419 ' CG1' ' N ' ' A' ' 100' ' ' LEU . 41.0 t -101.13 160.59 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.346 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.468 ' HB2' ' CD1' ' A' ' 94' ' ' LEU . 28.7 tp -140.93 84.44 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.445 ' O ' ' C ' ' A' ' 102' ' ' LEU . 94.3 m-85 -61.71 99.11 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.113 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.459 HD13 ' CD2' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -36.74 -58.87 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.438 HG22 ' ND2' ' A' ' 104' ' ' ASN . 11.4 p -160.56 172.17 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.438 ' ND2' HG22 ' A' ' 103' ' ' VAL . 0.9 OUTLIER 40.04 44.37 1.46 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 39.63 28.56 0.13 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.128 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 104' ' ' ASN . 13.0 mt -122.02 -172.06 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.443 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 3.9 m-85 41.49 61.67 7.66 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.443 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.3 Cg_endo -75.01 134.06 17.34 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.54 1.811 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.459 ' CD2' HD13 ' A' ' 102' ' ' LEU . 4.1 mm? -111.64 95.05 5.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 80.5 m -69.51 128.64 37.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.366 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.416 HD21 ' CG2' ' A' ' 69' ' ' VAL . 17.9 tp -75.78 138.63 41.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -141.33 150.43 42.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.559 ' CZ2' ' HA3' ' A' ' 15' ' ' GLY . 0.9 OUTLIER -119.49 140.17 50.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 107.975 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.1 t -92.53 129.75 38.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -143.23 -145.72 4.46 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 92.4 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.518 1.799 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 83.3 p -148.03 128.4 13.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.973 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.7 t -175.23 126.34 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.001 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.6 p -100.04 -58.39 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 0.0 110.039 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.13 98.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.036 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.08 -113.22 0.44 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.141 . . . . 0.0 111.014 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.32 110.75 6.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.997 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.26 137.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.79 61.5 0.16 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.65 164.9 3.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.1 p -131.54 153.63 49.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.014 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.5 -16.85 14.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 47.71 94.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -138.34 134.59 6.95 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.6 m -116.81 129.82 56.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 110.013 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . 0.468 ' O ' ' CH2' ' A' ' 113' ' ' TRP . 0.2 OUTLIER -125.86 158.29 35.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 49.85 -173.27 0.08 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.417 1.073 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.27 138.5 16.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 0.742 . . . . 0.0 110.257 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mt -79.61 155.93 27.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -166.88 153.94 8.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 108.009 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.47 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -90.71 138.28 31.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -102.56 102.8 13.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.15 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.01 148.56 35.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.982 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 170.93 19.31 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.497 1.788 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.4 t -64.9 -10.48 29.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.394 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.02 27.03 21.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -157.55 -163.64 12.85 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 173.72 14.02 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.535 1.808 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 173.87 13.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.476 1.777 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 119.11 5.51 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.508 1.793 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 mp -94.75 140.23 17.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -105.16 119.23 38.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.47 HD22 ' CD2' ' A' ' 19' ' ' LEU . 0.3 OUTLIER -70.8 165.49 46.16 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 158.9 42.02 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.535 1.808 . . . . 0.0 110.998 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 83.1 p -103.46 -35.77 8.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.8 -31.99 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.35 -3.08 8.28 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.68 168.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 0.787 . . . . 0.0 110.261 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.481 ' HB3' ' CG1' ' A' ' 61' ' ' ILE . . . -119.55 122.73 42.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 12.9 tp -91.63 100.16 12.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.471 ' CG1' ' HA ' ' A' ' 56' ' ' ASN . 1.7 t -70.75 119.82 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 16.7 mt -102.37 159.36 15.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 159.95 -157.14 28.41 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.458 ' CZ ' ' HA ' ' A' ' 51' ' ' ARG . 11.7 mtm180 -56.0 138.48 48.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 0.787 . . . . 0.0 110.253 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.81 -174.69 21.49 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -0.25 9.72 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.507 1.793 . . . . 0.0 111.039 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.46 HD23 ' N ' ' A' ' 45' ' ' LEU . 2.6 mm? -60.32 -61.48 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 74.6 p -117.32 11.86 14.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.437 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 64.97 19.94 11.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.323 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 23.0 t -77.85 122.9 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.413 ' OG1' ' O ' ' A' ' 49' ' ' THR . 1.6 t -128.55 28.86 5.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.395 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -99.08 121.73 41.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.458 ' HA ' ' CZ ' ' A' ' 42' ' ' ARG . 18.7 mtt180 -51.35 -29.31 14.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 77' ' ' ASN . 4.4 mmmt -59.04 -17.1 22.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -95.76 166.6 11.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 108.317 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.28 138.7 35.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 110.005 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.2 mtm-85 -39.29 -34.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.471 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 0.8 OUTLIER -123.45 58.92 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 32.6 tp60 -68.35 -50.22 54.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.0 m -140.67 162.34 23.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.461 ' CG ' ' HB3' ' A' ' 37' ' ' ALA . 17.8 tt0 -121.47 116.39 24.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 1.4 mp -99.68 141.16 32.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.481 ' CG1' ' HB3' ' A' ' 37' ' ' ALA . 88.4 mt -135.02 118.88 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.438 ' CB ' ' HB2' ' A' ' 31' ' ' LEU . . . -74.69 115.35 14.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -116.94 87.12 21.18 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.65 10.23 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -71.82 -35.78 70.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 110.335 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 6.1 m -136.07 26.67 3.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.037 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.665 ' CD ' ' CZ3' ' A' ' 113' ' ' TRP . 24.3 mmt85 44.83 46.86 8.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.9 p -129.47 177.48 7.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.434 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.413 HG23 ' CD2' ' A' ' 111' ' ' LEU . 62.0 t -147.67 129.04 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -87.95 139.12 30.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.462 HG13 ' CG2' ' A' ' 81' ' ' VAL . 66.0 t -122.77 134.95 64.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 2.2 ttpt -140.44 123.5 16.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -82.67 107.74 15.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 110.276 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.445 ' CD1' HG22 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -100.2 -1.73 35.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.18 -146.32 19.31 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -120.6 -52.55 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 1.9 m120 -57.6 137.56 82.22 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 129.06 12.03 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.498 1.788 . . . . 0.0 111.03 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.6 m -101.34 159.41 15.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 86.1 m -115.56 117.9 31.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.385 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.462 ' CG2' HG13 ' A' ' 71' ' ' VAL . 24.4 t -99.24 89.15 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.96 -96.47 2.22 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.3 p -130.41 17.28 2.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 0.773 . . . . 0.0 109.273 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -125.2 140.83 52.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -88.67 142.32 27.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.9 mt -104.39 -172.28 2.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -143.68 170.22 8.92 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 97.5 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.52 1.8 . . . . 0.0 111.043 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 114.93 1.94 22.38 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.1 tp -86.83 -177.98 6.22 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 0.738 . . . . 0.0 109.286 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.28 132.4 7.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.998 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -129.15 -168.12 12.29 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.459 1.1 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.81 144.16 45.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 109.958 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.4 ' CD1' ' HB2' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -116.66 135.37 53.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.0 m -104.43 161.13 14.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.403 HD13 ' CB ' ' A' ' 113' ' ' TRP . 3.9 mt -54.91 107.58 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 114.08 -32.95 5.69 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -53.23 148.33 8.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.491 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 47.5 t -97.21 164.06 2.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.4 ' HB2' ' CD1' ' A' ' 94' ' ' LEU . 34.7 tp -143.47 84.36 1.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.418 ' O ' ' C ' ' A' ' 102' ' ' LEU . 95.8 m-85 -60.32 100.16 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.418 ' C ' ' O ' ' A' ' 101' ' ' TYR . 0.0 OUTLIER -38.19 -57.75 1.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.438 HG23 ' ND2' ' A' ' 104' ' ' ASN . 11.8 p -162.57 172.21 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.461 ' O ' ' N ' ' A' ' 106' ' ' LEU . 1.2 m120 40.24 45.76 1.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 37.47 30.12 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 104' ' ' ASN . 12.0 mt -123.57 -171.62 2.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.466 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 4.2 m-85 41.37 60.45 8.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.491 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.4 Cg_endo -75.01 140.03 24.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.517 1.799 . . . . 0.0 111.043 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -117.81 115.64 25.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 97.6 m -82.48 129.99 35.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.367 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.413 ' CD2' HG23 ' A' ' 69' ' ' VAL . 21.2 tp -87.39 130.15 34.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 20.3 mmt180 -131.93 178.88 6.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.665 ' CZ3' ' CD ' ' A' ' 67' ' ' ARG . 7.0 t-105 -135.18 144.94 47.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.155 . . . . 0.0 108.024 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.5 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 14.7 t -89.08 135.81 33.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -116.56 -141.59 7.15 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 74.58 3.94 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.529 1.805 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.4 t -155.5 100.53 2.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.9 m -138.96 -56.91 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.549 1.156 . . . . 0.0 110.978 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.2 m 54.61 82.26 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 0.766 . . . . 0.0 109.985 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.12 113.93 2.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.958 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -40.27 130.06 2.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.1 t -158.53 -58.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 110.024 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -81.15 151.49 28.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.0 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.45 -92.42 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.522 1.138 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 62.09 113.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 0.768 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.9 m -96.76 169.35 9.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -86.42 51.37 2.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -45.01 132.3 6.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -117.81 -88.47 1.29 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.9 p -176.41 -43.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.758 . . . . 0.0 109.98 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 53.77 171.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.509 ' HA3' ' CZ2' ' A' ' 113' ' ' TRP . . . -172.68 -153.94 9.85 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.57 142.07 23.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.753 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 16.5 mt -82.85 148.5 27.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.595 ' HE1' ' N ' ' A' ' 114' ' ' SER . 64.1 p-90 -166.96 163.27 16.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 107.99 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.1 mt -109.23 136.02 49.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -97.83 95.71 7.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.93 148.49 98.42 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.98 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 23' ' ' THR . 18.4 Cg_endo -74.93 158.25 42.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.458 1.767 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 22' ' ' PRO . 5.0 t -40.9 161.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.413 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 50.51 37.58 33.34 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -134.14 -170.12 12.21 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.73 14.01 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.791 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 173.79 13.9 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.526 1.803 . . . . 0.0 110.966 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 110.95 3.21 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 mp -83.58 144.9 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -105.3 119.69 39.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.464 ' HB2' ' CB ' ' A' ' 62' ' ' ALA . 2.0 mt -69.89 153.89 95.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 124.65 8.76 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.401 ' C ' ' N ' ' A' ' 35' ' ' GLY . 2.2 m -78.4 -30.31 47.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.945 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -45.94 -26.47 0.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 33' ' ' SER . . . 117.14 -7.46 16.63 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -54.18 175.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.745 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.487 ' CB ' HG12 ' A' ' 61' ' ' ILE . . . -122.9 125.85 46.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.9 tp -94.96 104.16 16.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.472 ' CG1' ' HA ' ' A' ' 56' ' ' ASN . 1.9 t -71.11 123.3 24.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.6 mt -102.62 170.99 7.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.96 -157.25 27.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.447 1.092 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 -58.64 139.03 56.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 0.738 . . . . 0.0 110.275 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.22 -175.11 21.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.36 8.99 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.494 1.786 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.4 mp -60.4 -61.63 2.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 47.4 p -114.97 8.12 15.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.392 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 65.74 23.6 11.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.292 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 47.6 t -84.05 129.13 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.2 p -127.2 33.22 4.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.406 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -93.05 128.02 38.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.357 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -59.14 -33.68 71.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.347 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.44 ' O ' ' ND2' ' A' ' 77' ' ' ASN . 8.8 mttt -62.42 -21.02 65.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -80.87 143.65 32.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 108.334 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -117.06 132.23 56.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 110.045 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.5 OUTLIER -37.48 -36.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.472 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 1.7 m120 -121.57 57.28 1.03 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 35.0 tp60 -60.5 -53.56 56.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.263 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.7 m -140.14 162.31 24.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.458 ' HB2' ' CD1' ' A' ' 74' ' ' LEU . 3.4 tt0 -114.22 108.09 16.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.412 HD11 ' CD2' ' A' ' 100' ' ' LEU . 1.8 mp -88.65 142.26 27.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.487 HG12 ' CB ' ' A' ' 37' ' ' ALA . 88.2 mt -140.07 118.88 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.464 ' CB ' ' HB2' ' A' ' 31' ' ' LEU . . . -75.04 128.49 35.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -121.85 87.73 46.87 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.96 8.24 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.431 1.753 . . . . 0.0 111.054 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 65' ' ' GLU . 2.7 tp10 -78.06 -30.29 49.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -145.65 26.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 110.012 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.424 ' HB3' ' CD1' ' A' ' 96' ' ' LEU . 0.0 OUTLIER 46.98 38.31 6.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.2 p -115.65 174.9 5.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.421 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 99.2 t -151.51 140.31 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -102.1 139.99 36.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 70.1 t -124.76 111.47 28.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.2 tttt -112.27 120.08 40.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 38.0 tt0 -78.62 118.95 21.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.458 ' CD1' ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -118.1 3.37 12.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.24 -141.1 9.93 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.533 1.145 . . . . 0.0 111.012 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -123.31 -52.59 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 52' ' ' LYS . 68.4 m-80 -64.75 139.41 97.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 129.34 12.3 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 86' ' ' LEU . 6.4 m -95.48 159.21 15.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 27.5 m -117.36 113.72 22.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 110.433 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.458 HG13 ' CD1' ' A' ' 94' ' ' LEU . 24.3 t -94.62 81.14 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 98.52 -94.74 1.51 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.559 1.162 . . . . 0.0 110.961 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.1 p -133.34 16.28 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 109.282 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -125.18 137.62 54.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.237 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.56 147.26 28.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 79' ' ' SER . 12.5 mt -106.37 -172.91 2.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.13 171.21 7.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 112.57 3.59 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.797 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.01 0.99 59.83 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.9 tp -82.58 -179.14 7.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 0.749 . . . . 0.0 109.304 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.38 134.39 8.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 110.012 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.72 -167.8 11.96 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.446 1.091 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.8 p -133.35 148.48 51.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 0.745 . . . . 0.0 109.973 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.458 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -122.87 129.86 52.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.2 m -97.49 154.49 17.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.424 ' CD1' ' HB3' ' A' ' 67' ' ' ARG . 4.9 mt -52.56 100.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 125.28 -26.82 5.44 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.569 1.168 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -60.96 150.57 32.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 109.332 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.421 HG12 ' N ' ' A' ' 100' ' ' LEU . 94.1 t -96.36 166.26 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.44 ' CD1' HG21 ' A' ' 81' ' ' VAL . 44.5 tp -144.86 86.82 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 102' ' ' LEU . 91.3 m-85 -63.77 100.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.45 ' C ' ' O ' ' A' ' 101' ' ' TYR . 0.0 OUTLIER -35.65 -58.42 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 12.3 p -166.13 171.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.435 ' O ' ' N ' ' A' ' 106' ' ' LEU . 0.5 OUTLIER 41.9 43.02 2.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 40.71 26.38 0.14 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.528 1.142 . . . . 0.0 110.964 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 104' ' ' ASN . 28.4 mt -121.88 -170.99 2.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.459 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 7.1 m-85 38.4 60.77 4.9 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.459 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.2 Cg_endo -74.98 172.34 16.54 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.496 1.787 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 1.3 mp -153.62 133.93 13.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 99.2 m -96.54 130.59 43.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 20.1 tp -87.29 121.28 29.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.247 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -129.06 164.42 23.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.509 ' CZ2' ' HA3' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -135.46 133.79 38.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 108.027 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.595 ' N ' ' HE1' ' A' ' 18' ' ' TRP . 7.9 t -77.12 134.4 38.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.961 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -166.81 -153.78 8.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 77.42 3.13 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.456 1.766 . . . . 0.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.1 m -127.65 159.99 33.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.969 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 51.9 m 63.82 170.96 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.035 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -164.74 139.99 5.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 0.778 . . . . 0.0 110.006 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.4 152.82 4.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.81 -107.98 0.26 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.4 p -125.89 153.37 44.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.747 . . . . 0.0 110.034 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -163.88 103.39 0.9 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.21 -150.4 8.38 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.485 1.115 . . . . 0.0 110.989 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.5 mtm -137.86 -56.24 0.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 0.79 . . . . 0.0 111.014 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.16 153.55 33.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.005 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 6.9 tt0 -126.05 98.4 5.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 22.2 mt -149.23 -61.99 0.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.8 86.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.1 m -53.65 170.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 110.002 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.44 8.38 23.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.518 ' HA3' ' CE2' ' A' ' 113' ' ' TRP . . . -179.51 -170.86 41.86 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.87 141.64 36.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 0.806 . . . . 0.0 110.273 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 9.2 mt -85.67 151.87 23.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.507 ' HE1' ' N ' ' A' ' 114' ' ' SER . 40.7 p-90 -166.82 159.84 14.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 108.033 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.1 mt -106.88 126.81 52.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -95.28 99.04 11.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.78 148.27 98.51 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.982 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 159.98 40.79 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.458 1.768 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.3 t -40.07 159.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.426 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.45 41.49 63.64 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -143.09 -171.85 13.75 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.435 ' CD ' ' HG3' ' A' ' 47' ' ' GLN . 18.4 Cg_endo -74.93 173.94 13.62 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.496 1.787 . . . . 0.0 111.008 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 173.86 13.78 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 112.92 3.67 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.465 1.771 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 mp -85.83 143.69 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -106.55 106.06 16.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.453 ' HB2' ' CB ' ' A' ' 62' ' ' ALA . 1.1 mt -55.72 161.48 3.24 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 156.68 43.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.463 1.77 . . . . 0.0 110.969 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.414 ' C ' ' N ' ' A' ' 35' ' ' GLY . 89.2 p -104.92 -34.59 7.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.029 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -43.61 -28.5 0.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 33' ' ' SER . . . 120.16 -1.99 12.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -55.71 175.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.481 ' CB ' HG12 ' A' ' 61' ' ' ILE . . . -124.86 125.82 44.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.9 tp -94.27 104.71 16.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.483 ' CG2' ' OE1' ' A' ' 59' ' ' GLU . 2.0 t -73.51 122.57 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.2 mt -103.65 170.41 7.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.413 ' HA2' ' CD2' ' A' ' 102' ' ' LEU . . . 148.68 -143.62 11.21 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -71.37 139.63 49.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 110.272 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.63 -175.89 20.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.32 9.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 111.061 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mp -60.98 -60.32 3.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 52.0 p -116.33 10.39 14.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.411 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.435 ' HG3' ' CD ' ' A' ' 26' ' ' PRO . 4.1 mm-40 65.6 21.88 11.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.7 t -86.56 126.94 40.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.117 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.8 p -126.71 17.07 7.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.422 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -75.17 134.59 41.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.0 mtp-105 -64.24 -40.71 96.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.23 -31.21 31.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.429 ' SG ' ' CD2' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -71.51 175.5 5.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 108.291 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 57' ' ' GLN . 0.2 OUTLIER -153.13 132.95 13.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -38.66 -34.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.475 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 4.3 m-80 -118.97 54.19 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.351 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . 0.409 ' N ' ' O ' ' A' ' 54' ' ' SER . 42.7 tp60 -64.39 -51.79 61.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 5.1 m -141.51 169.08 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.483 ' OE1' ' CG2' ' A' ' 39' ' ' VAL . 2.0 tt0 -122.57 110.56 15.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.448 HD22 ' CD2' ' A' ' 100' ' ' LEU . 0.6 OUTLIER -93.06 143.18 26.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.481 HG12 ' CB ' ' A' ' 37' ' ' ALA . 96.5 mt -140.23 119.03 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.453 ' CB ' ' HB2' ' A' ' 31' ' ' LEU . . . -74.42 122.57 23.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -119.3 88.38 37.66 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.02 8.2 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.788 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -69.16 -39.46 78.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.7 m -141.33 26.31 1.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.029 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 1.8 mpp_? 52.22 46.59 26.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.471 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 1.5 p -120.73 176.02 5.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.417 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.471 ' CG2' ' O ' ' A' ' 68' ' ' THR . 87.2 t -156.14 126.43 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.71 144.78 25.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 94.8 t -130.32 111.17 20.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.413 ' CD ' HD23 ' A' ' 74' ' ' LEU . 9.0 ttmm -110.94 121.44 45.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 30.4 tt0 -76.84 121.27 23.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.413 HD23 ' CD ' ' A' ' 72' ' ' LYS . 0.1 OUTLIER -118.14 -1.96 11.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -87.72 -137.7 5.57 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -126.21 -53.58 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 68.6 m-80 -63.74 139.28 97.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.36 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 124.97 9.05 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.491 1.785 . . . . 0.0 111.028 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.62 159.17 18.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.965 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 88.9 m -116.46 107.27 14.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.382 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.465 HG12 ' CD1' ' A' ' 94' ' ' LEU . 46.0 t -90.92 85.38 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.69 -96.32 2.07 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.452 1.095 . . . . 0.0 110.97 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.1 p -132.91 18.6 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.442 0.73 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -125.06 138.77 54.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -85.32 136.17 33.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.256 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.4 mt -95.17 -172.31 2.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 1.1 mtpt -145.18 172.62 5.13 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 113.95 3.91 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.513 1.796 . . . . 0.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.65 3.65 62.49 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.5 tp -85.19 178.67 7.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.75 . . . . 0.0 109.327 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.89 133.07 6.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -132.82 -168.82 12.07 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.7 p -128.15 150.37 50.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 0.737 . . . . 0.0 110.014 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.465 ' CD1' HG12 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -124.29 119.48 29.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.0 m -86.98 152.2 22.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.944 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.9 mt -50.53 103.55 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 123.69 -32.36 4.28 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.4 154.41 4.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 0.726 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.443 ' CG1' ' N ' ' A' ' 100' ' ' LEU . 67.5 t -100.89 164.37 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.448 ' CD2' HD22 ' A' ' 60' ' ' LEU . 60.7 tp -143.3 86.94 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 102' ' ' LEU . 87.7 m-85 -64.7 99.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 101' ' ' TYR . 0.0 OUTLIER -35.65 -58.14 0.62 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.439 HG22 ' ND2' ' A' ' 104' ' ' ASN . 11.9 p -166.11 172.39 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.464 ' O ' ' N ' ' A' ' 106' ' ' LEU . 0.9 OUTLIER 40.11 46.09 1.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 37.84 28.87 0.04 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 104' ' ' ASN . 12.1 mt -123.78 -171.03 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.463 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 7.8 m-85 37.9 60.5 4.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.463 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.3 Cg_endo -74.96 174.05 13.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.541 1.811 . . . . 0.0 111.039 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.4 ' O ' ' HA ' ' A' ' 99' ' ' VAL . 1.6 mp -153.76 135.5 14.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.3 m -98.78 126.35 44.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.393 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 26.6 tp -81.8 114.5 20.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 0.0 109.35 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -118.27 164.98 14.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.332 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.527 ' C ' ' CD1' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -137.17 135.49 37.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 108.034 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.507 ' N ' ' HE1' ' A' ' 18' ' ' TRP . 5.3 t -79.77 134.38 36.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -156.24 164.21 32.31 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.514 1.133 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 119.55 5.69 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.467 1.772 . . . . 0.0 111.007 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.87 91.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.001 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 17.3 t -141.59 -57.01 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.994 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.065 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.48 156.29 0.92 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 109.953 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.93 -58.32 1.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.013 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.56 -138.94 14.81 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.49 1.119 . . . . 0.0 111.027 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.7 p -54.24 114.47 1.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.753 . . . . 0.0 110.027 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -46.6 110.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 110.018 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.52 141.4 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -110.41 -55.88 2.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 110.993 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.6 t -61.37 147.39 44.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.2 91.14 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.7 mt -91.97 -54.45 3.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.79 -156.43 9.65 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 111.04 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.82 158.4 17.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 0.778 . . . . 0.0 110.027 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 60.26 164.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.504 ' HA3' ' CE2' ' A' ' 113' ' ' TRP . . . -60.97 178.2 3.66 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -134.34 128.61 34.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.762 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 6.9 mt -81.06 142.38 33.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 62.1 p-90 -165.2 150.57 9.42 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.474 ' CD2' HD23 ' A' ' 31' ' ' LEU . 0.2 OUTLIER -93.16 148.63 21.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -111.86 96.88 6.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 p -67.27 145.68 98.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.952 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 144.37 30.12 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.489 1.784 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.481 ' CG2' ' N ' ' A' ' 24' ' ' GLY . 0.5 OUTLIER 74.39 -179.38 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.383 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.481 ' N ' ' CG2' ' A' ' 23' ' ' THR . . . -80.96 41.28 2.58 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.87 -138.58 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 172.12 16.99 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.47 1.774 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.82 13.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.436 1.756 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 111.9 3.44 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.549 1.815 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.403 ' CG2' HD21 ' A' ' 38' ' ' LEU . 3.1 mp -79.93 112.38 17.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -86.56 108.84 18.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.474 HD23 ' CD2' ' A' ' 19' ' ' LEU . 1.6 mt -62.37 162.06 21.8 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 148.61 35.45 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.491 1.785 . . . . 0.0 110.989 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -98.79 -21.56 16.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -56.11 -32.71 64.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.37 -8.07 5.94 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -48.45 176.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.521 ' HB2' ' CG1' ' A' ' 61' ' ' ILE . . . -129.39 120.18 25.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.403 HD21 ' CG2' ' A' ' 29' ' ' ILE . 9.9 tp -91.78 104.65 17.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.479 ' CG1' ' HA ' ' A' ' 56' ' ' ASN . 1.8 t -75.21 121.92 27.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -96.36 175.41 6.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.44 -151.06 23.17 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.475 1.109 . . . . 0.0 111.038 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -68.36 134.99 51.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 110.296 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.32 -173.83 28.19 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.453 1.096 . . . . 0.0 111.038 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -10.01 20.94 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.453 1.765 . . . . 0.0 110.954 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.2 mp -54.16 -60.86 2.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 30.7 p -110.75 4.15 19.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 65.31 19.58 11.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 110.34 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 43.3 t -81.15 133.84 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 40.0 p -131.03 24.72 4.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.375 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 51' ' ' ARG . 27.2 t0 -82.38 134.78 35.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . 0.42 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 60.9 mtt180 -60.39 -46.06 91.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -50.26 -31.1 13.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.356 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.5 OUTLIER -70.61 135.79 48.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 108.327 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -112.29 133.09 54.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 110.015 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 54' ' ' SER . 9.5 mtt180 -37.6 -36.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.479 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.0 m120 -123.22 60.74 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -65.81 -46.89 76.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 110.337 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 4.6 m -146.56 158.44 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.496 ' CG ' ' HB2' ' A' ' 37' ' ' ALA . 10.5 tt0 -111.79 106.42 15.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 110.255 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mp -86.09 141.32 29.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.521 ' CG1' ' HB2' ' A' ' 37' ' ' ALA . 86.5 mt -137.84 119.29 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.474 ' CB ' ' HB2' ' A' ' 31' ' ' LEU . . . -74.02 130.74 40.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -129.81 85.02 59.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 0.79 8.49 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.467 1.772 . . . . 0.0 111.039 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -65.91 -32.59 74.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.273 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.2 m -152.16 35.38 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.4 mpp_? 45.02 67.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.334 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.412 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 1.5 p -144.61 177.27 8.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.392 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.412 ' CG2' ' O ' ' A' ' 68' ' ' THR . 89.2 t -154.1 138.5 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -100.26 143.44 30.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 94.1 t -128.59 123.17 59.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.7 ttpt -122.55 120.18 33.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.7 tt0 -76.35 116.95 17.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.451 ' CD1' ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -118.37 8.23 12.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -99.06 -145.71 19.04 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.55 1.156 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -118.98 -50.44 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 57.8 m-80 -66.19 138.93 96.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 127.52 10.73 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.793 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.2 m -92.25 159.3 15.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.985 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 56.2 m -120.23 114.33 21.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.364 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.453 HG21 ' CD1' ' A' ' 86' ' ' LEU . 54.3 t -97.7 92.44 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.68 -94.22 1.97 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.6 p -135.6 21.18 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 0.777 . . . . 0.0 109.247 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -125.21 143.7 50.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.79 135.3 34.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.453 ' CD1' HG21 ' A' ' 81' ' ' VAL . 11.0 mt -95.6 -172.17 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 3.2 mttt -146.54 172.34 5.35 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 112.43 3.56 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.483 1.78 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.63 2.26 58.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.3 tp -84.61 -179.39 7.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.32 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.87 133.57 7.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -133.12 -171.08 12.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.2 m -128.55 154.07 46.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 109.975 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -128.78 122.35 30.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.2 m -93.83 172.85 7.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.049 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.5 mt -63.82 115.85 5.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 108.5 -38.12 3.48 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -44.03 161.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 109.319 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.421 ' HA ' ' O ' ' A' ' 109' ' ' LEU . 79.4 t -112.14 163.57 8.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.41 ' N ' ' CG1' ' A' ' 99' ' ' VAL . 60.8 tp -144.93 89.4 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.479 ' O ' ' C ' ' A' ' 102' ' ' LEU . 95.1 m-85 -66.8 99.73 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.479 ' C ' ' O ' ' A' ' 101' ' ' TYR . 0.0 OUTLIER -34.6 -60.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 12.3 p -162.97 172.13 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.425 ' C ' ' N ' ' A' ' 106' ' ' LEU . 0.5 OUTLIER 41.24 40.61 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 42.83 24.52 0.26 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.477 1.111 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.425 ' N ' ' C ' ' A' ' 104' ' ' ASN . 26.0 mt -118.75 -170.18 1.86 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 0.766 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.51 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 9.2 m-85 38.11 58.26 4.92 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.51 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.1 Cg_endo -75.0 177.12 9.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.514 1.797 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.427 HD13 ' CD1' ' A' ' 102' ' ' LEU . 4.7 mp -151.97 162.94 40.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 46.4 m -121.92 119.09 30.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.432 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 21.3 tp -73.37 116.77 14.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.123 . . . . 0.0 109.258 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -117.85 169.46 9.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.504 ' CE2' ' HA3' ' A' ' 15' ' ' GLY . 0.1 OUTLIER -144.91 127.69 16.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 108.057 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.485 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 28.6 t -73.86 149.37 41.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.026 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -157.88 177.87 34.44 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 115.27 4.24 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 29.8 m -167.98 -65.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.025 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 29.6 t 43.66 91.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.013 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 t -97.1 84.26 3.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 109.995 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.7 154.87 17.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.032 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.5 60.87 0.17 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.3 m -145.02 146.19 31.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 0.744 . . . . 0.0 110.066 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.1 m 63.42 166.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.027 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.32 177.62 19.04 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.138 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.93 124.22 1.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 0.793 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t -104.98 -61.33 1.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.019 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -176.21 95.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 110.31 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.7 mt 63.31 141.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.6 -135.81 5.77 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.552 1.158 . . . . 0.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.3 m 59.06 172.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.756 . . . . 0.0 109.98 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -117.28 173.0 6.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 110.273 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.563 ' HA3' ' CZ2' ' A' ' 113' ' ' TRP . . . -51.32 166.78 0.69 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.448 1.092 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -148.34 128.38 13.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 110.303 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mt -83.03 143.7 30.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.437 ' CB ' ' O ' ' A' ' 29' ' ' ILE . 38.0 p-90 -165.78 164.26 18.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 107.976 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.47 ' CD2' HD21 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -98.95 145.32 27.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -117.11 102.97 9.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.77 148.2 75.63 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.006 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 23' ' ' THR . 18.3 Cg_endo -75.0 170.9 19.4 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.794 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 22' ' ' PRO . 21.9 m -38.63 153.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.392 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 51.22 61.07 6.54 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.448 1.092 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.15 -178.36 28.5 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.448 ' CD ' ' HG3' ' A' ' 47' ' ' GLN . 18.4 Cg_endo -75.02 172.51 16.24 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.803 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 173.12 15.05 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.485 1.781 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 116.71 4.67 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 110.962 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.437 ' O ' ' CB ' ' A' ' 18' ' ' TRP . 2.5 mp -81.27 135.67 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -99.6 102.3 13.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.47 HD21 ' CD2' ' A' ' 19' ' ' LEU . 1.5 mt -60.95 160.29 21.74 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 163.86 34.41 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.513 1.797 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.432 ' C ' ' N ' ' A' ' 35' ' ' GLY . 4.2 p -110.4 -36.69 5.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.982 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -41.54 -29.7 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.432 ' N ' ' C ' ' A' ' 33' ' ' SER . . . 118.95 5.31 11.96 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -62.13 164.84 6.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 0.744 . . . . 0.0 110.286 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.551 ' HB1' ' CG1' ' A' ' 61' ' ' ILE . . . -110.06 118.0 35.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 60' ' ' LEU . 16.9 tp -91.26 104.81 17.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -71.83 147.5 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.6 mt -127.91 173.82 9.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.466 ' HA2' ' CD2' ' A' ' 102' ' ' LEU . . . 148.48 -150.1 22.22 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -63.07 137.75 58.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 0.728 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 142.87 -175.97 22.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -13.5 21.23 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.502 1.79 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.421 HD21 ' N ' ' A' ' 45' ' ' LEU . 2.7 mt -52.86 -57.35 10.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 81.3 p -112.66 9.71 19.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.368 -179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.448 ' HG3' ' CD ' ' A' ' 26' ' ' PRO . 3.6 mm-40 57.61 26.11 12.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 69.8 t -91.42 131.15 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.0 p -128.03 24.07 6.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.438 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.05 127.91 35.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.3 mmm-85 -52.18 -45.45 65.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -50.94 -23.18 2.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -88.06 109.32 19.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 108.31 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.05 139.48 30.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.48 ' HB2' ' CZ ' ' A' ' 55' ' ' ARG . 27.9 mtm105 -37.97 -33.72 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.122 . . . . 0.0 110.317 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -124.65 57.44 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -64.76 -41.45 95.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -144.93 175.58 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 0.0 109.246 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.404 ' CD ' ' CB ' ' A' ' 37' ' ' ALA . 25.8 tt0 -132.02 111.04 11.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.44 ' O ' ' N ' ' A' ' 38' ' ' LEU . 4.1 mp -95.87 137.09 35.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.551 ' CG1' ' HB1' ' A' ' 37' ' ' ALA . 2.3 mp -134.21 121.7 38.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.45 ' CB ' ' HB2' ' A' ' 31' ' ' LEU . . . -74.75 121.82 22.33 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -121.47 86.46 44.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 0.49 8.84 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.489 1.784 . . . . 0.0 110.959 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.73 -40.95 98.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.258 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 m -142.77 36.81 1.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.995 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 7.7 mtp180 45.36 62.81 2.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 110.294 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.55 176.72 9.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.366 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 97.4 t -150.18 137.68 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -93.13 144.96 24.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 23.1 t -132.41 116.55 28.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -117.69 126.82 53.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 32.1 tt0 -80.94 114.53 19.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.277 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -116.29 -4.14 11.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.96 -140.04 6.06 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.552 1.157 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.3 p -127.67 -52.99 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 4.7 m-80 -60.13 143.74 88.06 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 122.46 7.23 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.798 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.1 m -89.92 158.99 17.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.943 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 88.4 m -122.63 114.55 20.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.4 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.44 HG22 ' CD1' ' A' ' 86' ' ' LEU . 40.0 t -96.1 87.89 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.09 -93.66 1.92 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.9 p -134.02 19.54 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 0.766 . . . . 0.0 109.31 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . 0.417 ' HG2' ' N ' ' A' ' 85' ' ' GLU . 0.6 OUTLIER -124.9 136.41 53.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.417 ' N ' ' HG2' ' A' ' 84' ' ' GLN . 0.2 OUTLIER -83.82 141.68 31.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.31 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.44 ' CD1' HG22 ' A' ' 81' ' ' VAL . 10.1 mt -101.66 -172.25 2.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.05 172.85 4.72 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 114.55 4.05 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.531 1.806 . . . . 0.0 111.034 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.68 3.68 62.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.2 tp -85.01 -178.69 6.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 0.775 . . . . 0.0 109.319 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.79 133.4 7.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.174 . . . . 0.0 109.981 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -133.21 -172.68 13.04 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 24.4 p -132.62 146.08 51.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.764 . . . . 0.0 110.044 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.441 ' CD1' ' HB2' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -116.18 130.35 56.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.4 m -94.26 161.62 14.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.127 . . . . 0.0 109.997 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.6 mt -59.59 107.93 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 112.83 -23.23 15.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -61.2 157.29 16.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.506 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 80.7 t -105.8 162.01 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.441 ' HB2' ' CD1' ' A' ' 94' ' ' LEU . 24.9 tp -144.7 85.73 1.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 102' ' ' LEU . 99.7 m-85 -62.1 99.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.466 ' CD2' ' HA2' ' A' ' 41' ' ' GLY . 0.0 OUTLIER -37.99 -59.0 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.437 HG22 ' ND2' ' A' ' 104' ' ' ASN . 12.9 p -159.58 172.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.078 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.476 ' O ' ' N ' ' A' ' 106' ' ' LEU . 1.4 m120 39.7 45.6 1.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 104' ' ' ASN . . . 37.05 30.23 0.04 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 104' ' ' ASN . 11.7 mt -122.26 -172.02 2.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.315 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.472 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 5.8 m-85 42.05 60.21 9.36 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.506 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.2 Cg_endo -75.0 134.17 17.47 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.545 1.813 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.464 ' CD2' HD11 ' A' ' 102' ' ' LEU . 4.1 mm? -110.56 113.25 25.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 13.4 m -85.45 121.02 27.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.408 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 18.7 tp -76.24 124.36 27.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -122.83 162.2 22.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.563 ' CZ2' ' HA3' ' A' ' 15' ' ' GLY . 0.7 OUTLIER -132.28 128.82 38.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 107.986 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.1 t -75.41 134.7 40.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.957 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 165.89 165.23 22.89 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 147.24 33.61 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.541 1.811 . . . . 0.0 111.053 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.71 117.95 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.9 t -158.5 -58.52 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 109.978 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.0 m 62.15 164.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.043 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 t -143.45 -60.61 0.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.68 164.73 33.87 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.85 159.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 0.795 . . . . 0.0 110.074 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 t -111.92 -58.39 2.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.977 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.09 -169.7 28.78 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.0 mmm -131.07 -55.77 1.04 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.762 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.2 p -98.7 101.41 12.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.006 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.01 89.9 1.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 76.0 mt -70.65 -60.64 2.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.6 66.2 0.03 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.116 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.0 t 65.42 132.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 0.774 . . . . 0.0 110.037 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -87.23 175.63 7.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.555 ' HA3' ' CZ2' ' A' ' 113' ' ' TRP . . . -57.92 159.09 14.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.35 131.69 20.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 0.763 . . . . 0.0 110.333 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.4 mt -84.23 143.53 29.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 48.7 p-90 -166.85 155.57 10.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 108.0 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.484 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -92.98 149.04 21.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -118.76 99.69 6.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.331 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' SER . . . . . 0.467 ' CB ' ' HD2' ' A' ' 26' ' ' PRO . 0.6 OUTLIER -73.84 143.66 81.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 171.5 18.19 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.525 1.802 . . . . 0.0 110.97 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.511 ' O ' ' CG2' ' A' ' 23' ' ' THR . 2.9 m 44.87 37.36 2.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 25' ' ' GLY . . . 69.5 -52.71 0.65 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.127 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 24' ' ' GLY . . . 37.3 -140.11 0.38 Allowed Glycine 0 CA--C 1.531 1.031 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.467 ' HD2' ' CB ' ' A' ' 21' ' ' SER . 18.3 Cg_endo -74.98 173.8 13.87 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 166.53 28.98 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 110.97 3.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.447 1.762 . . . . 0.0 110.973 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 mp -78.68 118.47 26.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -84.08 105.37 14.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.484 HD22 ' CD2' ' A' ' 19' ' ' LEU . 3.7 mt -60.67 157.44 37.96 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 134.87 18.22 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.515 1.798 . . . . 0.0 110.963 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 61.3 p -84.78 -30.47 24.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 110.008 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.28 -32.98 11.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.47 -7.93 7.9 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 0.0 111.047 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -46.73 170.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.492 ' HB2' ' CG1' ' A' ' 61' ' ' ILE . . . -118.55 121.32 39.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.2 tp -91.04 101.38 14.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 1.6 t -70.81 115.2 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.1 mp -93.11 174.05 7.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.297 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 137.96 -162.38 25.59 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.472 1.107 . . . . 0.0 110.965 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -48.71 147.77 2.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 0.793 . . . . 0.0 110.333 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 129.82 178.89 15.65 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.459 1.099 . . . . 0.0 111.035 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -1.56 11.39 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.52 1.8 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.1 mp -60.27 -61.13 2.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 54.8 p -112.11 4.22 17.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.41 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 65.55 25.87 11.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.441 HG13 ' CB ' ' A' ' 53' ' ' CYS . 24.9 t -85.63 130.73 35.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 50' ' ' ASP . 44.1 p -116.82 -30.17 5.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' THR . 51.5 t0 -39.58 124.46 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.564 1.165 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -59.77 -29.06 67.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -59.54 -16.48 25.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.441 ' CB ' HG13 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -90.24 121.99 32.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 108.302 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -97.81 136.88 37.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.956 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.69 -32.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.404 ' N ' ' O ' ' A' ' 54' ' ' SER . 1.2 p30 -123.68 54.85 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 46.4 tp60 -65.5 -34.51 78.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 3.6 m -155.64 158.09 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.466 ' CG ' ' HB1' ' A' ' 37' ' ' ALA . 18.0 tt0 -116.71 104.0 10.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.449 HD22 ' CD2' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -87.08 139.14 30.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.492 ' CG1' ' HB2' ' A' ' 37' ' ' ALA . 38.9 mt -136.63 119.44 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.468 ' CB ' ' HB2' ' A' ' 31' ' ' LEU . . . -74.51 125.1 27.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.97 87.98 44.1 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 0.68 8.61 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.577 1.83 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.33 -46.52 79.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.355 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.1 m -138.21 30.1 2.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.023 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.436 ' HB3' ' CD1' ' A' ' 96' ' ' LEU . 1.7 mpt_? 52.59 50.24 18.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.7 p -124.79 177.02 6.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.394 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 84.9 t -150.76 141.37 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -104.48 138.05 41.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 48.9 t -131.52 128.19 60.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -129.22 122.99 30.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.4 ' HB3' ' O ' ' A' ' 87' ' ' LYS . 32.2 tt0 -72.75 119.98 17.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.432 ' CD1' ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -121.09 9.74 10.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -104.22 -150.33 20.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.096 . . . . 0.0 111.013 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 13.5 p -112.49 -51.64 5.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.529 0.782 . . . . 0.0 109.282 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 33.2 m-80 -65.07 141.2 98.27 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 133.12 16.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.788 . . . . 0.0 111.011 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.9 m -97.53 159.51 14.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.6 m -121.09 109.56 15.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.38 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.468 HG21 ' CD1' ' A' ' 100' ' ' LEU . 11.1 t -92.9 80.5 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 100.04 -96.6 1.64 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.4 p -133.75 19.47 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 0.769 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -125.1 140.09 53.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -84.58 142.41 29.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.453 ' CD1' HG22 ' A' ' 81' ' ' VAL . 12.7 mt -102.85 -176.62 3.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 73' ' ' GLN . 7.9 mttt -141.19 172.13 6.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 110.28 3.09 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.32 2.48 56.72 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.521 1.138 . . . . 0.0 110.959 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.2 tp -87.06 167.25 14.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.792 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.13 138.7 28.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -135.44 -169.27 11.81 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.5 m -134.75 153.75 51.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 0.0 109.965 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.418 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -126.02 130.74 51.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.0 m -95.67 165.29 12.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.436 ' CD1' ' HB3' ' A' ' 67' ' ' ARG . 4.0 mt -61.19 105.16 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 116.67 -24.84 9.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.499 1.125 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.76 152.42 22.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 0.752 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.494 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 97.6 t -101.33 162.91 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.468 ' CD1' HG21 ' A' ' 81' ' ' VAL . 39.7 tp -144.95 84.49 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.409 ' O ' ' C ' ' A' ' 102' ' ' LEU . 99.3 m-85 -60.66 100.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.434 ' CD2' ' SG ' ' A' ' 53' ' ' CYS . 0.1 OUTLIER -38.19 -58.73 0.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 7.4 p -162.59 173.88 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.322 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 42.94 36.59 0.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 46.26 23.43 1.21 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 30.8 mt -119.82 -171.55 2.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.475 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 2.5 m-85 43.47 59.83 11.56 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.494 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.2 Cg_endo -75.05 133.97 17.17 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 0.0 110.957 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.411 ' CD2' HD12 ' A' ' 102' ' ' LEU . 4.1 mm? -111.09 104.35 12.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 3.1 m -77.92 129.42 35.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.423 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 10.2 tp -81.52 130.79 35.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -129.25 165.9 20.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.312 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.555 ' CZ2' ' HA3' ' A' ' 15' ' ' GLY . 2.3 t-105 -141.64 127.07 18.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 108.007 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.444 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 3.5 t -75.03 149.6 39.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -161.34 165.47 35.47 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 57.09 4.43 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.798 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 52.9 m 42.25 88.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.51 132.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.022 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 t -160.64 -58.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 109.988 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 m 61.08 106.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.039 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.59 -126.95 1.59 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.125 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.16 118.13 31.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 0.787 . . . . 0.0 109.982 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.1 p -178.03 168.97 1.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 109.976 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.52 -91.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.88 155.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 0.784 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 t 65.46 160.98 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.964 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -126.98 100.43 6.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.334 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mt -63.26 125.2 23.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.6 -113.84 0.4 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.533 1.146 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 86.3 p -117.53 171.39 8.03 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 0.773 . . . . 0.0 110.02 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -87.04 -1.77 58.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.517 ' HA3' ' CE2' ' A' ' 113' ' ' TRP . . . 176.0 176.5 44.27 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -129.3 137.53 51.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.757 . . . . 0.0 110.254 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mt -83.58 144.17 29.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . 0.453 ' CZ3' ' HB2' ' A' ' 112' ' ' ARG . 50.6 p-90 -163.99 163.52 23.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 108.001 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.48 ' CD2' HD23 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -104.28 146.21 29.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -111.54 93.48 4.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 p -67.42 143.2 97.05 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.974 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 164.6 32.99 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.475 1.776 . . . . 0.0 111.004 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.438 ' O ' ' CG2' ' A' ' 23' ' ' THR . 0.5 OUTLIER 58.45 15.64 3.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.418 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 25' ' ' GLY . . . 68.79 -54.99 0.52 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 24' ' ' GLY . . . 36.07 -119.38 0.47 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 172.66 15.92 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.448 1.762 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 172.66 15.91 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.478 1.778 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 118.45 5.27 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.524 1.802 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 mp -79.97 113.04 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.076 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -87.21 108.96 19.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.48 HD23 ' CD2' ' A' ' 19' ' ' LEU . 3.2 mt -62.51 153.89 75.24 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 164.11 34.03 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.504 1.791 . . . . 0.0 110.987 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.426 ' C ' ' N ' ' A' ' 35' ' ' GLY . 96.6 p -107.04 -35.36 6.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.976 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -43.91 -27.36 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.426 ' N ' ' C ' ' A' ' 33' ' ' SER . . . 114.12 5.2 21.82 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -58.94 169.73 0.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.492 ' HB1' ' CG1' ' A' ' 61' ' ' ILE . . . -115.28 117.78 31.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.411 ' N ' ' O ' ' A' ' 60' ' ' LEU . 9.0 tp -90.99 106.38 18.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.465 ' CG1' ' HA ' ' A' ' 56' ' ' ASN . 1.7 t -74.0 134.91 28.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.467 ' CD2' HD22 ' A' ' 45' ' ' LEU . 13.5 mt -117.21 163.74 15.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.74 -147.59 16.9 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.458 1.099 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -65.12 141.6 58.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 0.742 . . . . 0.0 110.269 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.84 -173.87 22.96 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -7.69 19.4 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.783 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.467 HD22 ' CD2' ' A' ' 40' ' ' LEU . 6.3 mp -54.91 -61.67 2.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.143 . . . . 0.0 109.291 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' THR . . . . . 0.495 ' OG1' ' CG2' ' A' ' 48' ' ' VAL . 15.5 p -112.14 6.89 19.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 65.12 14.96 9.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.495 ' CG2' ' OG1' ' A' ' 46' ' ' THR . 53.0 t -75.71 133.95 30.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.6 p -128.37 10.04 6.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.398 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -69.31 128.61 37.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.5 mtt85 -58.01 -44.29 87.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -49.53 -26.75 3.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . 0.401 ' SG ' ' CD2' ' A' ' 102' ' ' LEU . 0.0 OUTLIER -76.94 142.05 40.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 108.283 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -119.78 133.63 55.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -38.12 -32.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.465 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.5 p30 -126.1 61.29 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 35.9 tp60 -69.49 -50.41 45.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 110.266 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 15.9 m -140.8 154.27 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.477 ' CG ' ' HB1' ' A' ' 37' ' ' ALA . 30.0 tt0 -107.91 114.22 27.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 38' ' ' LEU . 3.8 mp -95.59 139.92 31.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.492 ' CG1' ' HB1' ' A' ' 37' ' ' ALA . 16.9 mt -138.59 121.45 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.462 ' CB ' ' HB2' ' A' ' 31' ' ' LEU . . . -74.46 129.06 37.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.33 87.75 53.64 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 0.59 8.76 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.53 1.805 . . . . 0.0 110.975 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.7 -39.73 84.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.263 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 26.5 m -142.6 30.96 1.49 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.018 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.98 59.05 4.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.0 p -135.59 176.3 8.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.368 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 99.0 t -149.05 127.94 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.43 142.76 27.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 69.1 t -128.59 130.24 68.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.4 ttpp -132.5 121.16 22.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 36.4 tt0 -78.26 120.16 22.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.429 ' CD1' ' HB2' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -120.59 0.06 10.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.88 -128.28 1.81 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.7 p -137.07 -52.52 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 53.8 m-80 -66.36 142.37 97.73 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 125.09 9.11 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.781 . . . . 0.0 111.013 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 86' ' ' LEU . 4.1 m -93.68 159.26 15.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 110.002 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' THR . . . . . 0.457 ' HB ' ' CD2' ' A' ' 101' ' ' TYR . 53.4 m -117.54 116.72 27.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.388 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.446 HG12 ' CD1' ' A' ' 94' ' ' LEU . 21.3 t -97.77 85.77 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.56 -94.24 1.75 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 10.6 p -133.7 16.81 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.59 0.818 . . . . 0.0 109.287 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -124.74 141.25 52.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -86.9 147.83 25.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 79' ' ' SER . 12.6 mt -108.38 -172.77 2.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 7.9 mttt -144.35 172.02 6.0 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 112.31 3.53 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.55 1.816 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 98.18 0.66 58.39 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.8 tp -82.92 -177.87 6.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 0.741 . . . . 0.0 109.306 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.29 133.24 7.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.046 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -130.78 -168.82 12.32 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 57.8 p -133.22 151.85 51.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.763 . . . . 0.0 109.985 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.446 ' CD1' HG12 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -127.11 129.51 48.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.9 m -100.75 166.32 10.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.962 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.455 HD11 ' CB ' ' A' ' 113' ' ' TRP . 5.3 mt -59.39 104.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 120.07 -33.52 4.52 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.82 155.43 1.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 0.742 . . . . 0.0 109.232 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.426 HG12 ' N ' ' A' ' 100' ' ' LEU . 94.3 t -104.58 161.26 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.426 ' N ' HG12 ' A' ' 99' ' ' VAL . 60.9 tp -142.35 89.09 2.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.468 ' O ' ' C ' ' A' ' 102' ' ' LEU . 90.4 m-85 -65.11 100.11 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.468 ' C ' ' O ' ' A' ' 101' ' ' TYR . 0.0 OUTLIER -35.29 -58.61 0.56 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.43 HG23 ' ND2' ' A' ' 104' ' ' ASN . 12.8 p -165.95 172.36 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.469 ' O ' ' N ' ' A' ' 106' ' ' LEU . 1.1 m120 40.43 45.91 1.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 37.16 29.72 0.04 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.469 ' N ' ' O ' ' A' ' 104' ' ' ASN . 11.7 mt -124.36 -170.78 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.509 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 9.7 m-85 38.64 58.16 5.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.509 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.2 Cg_endo -75.01 172.79 15.68 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.435 1.755 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.6 mp -146.2 171.07 15.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.8 m -131.07 115.71 16.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.4 tp -70.41 113.0 7.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . 0.453 ' HB2' ' CZ3' ' A' ' 18' ' ' TRP . 30.1 mmt180 -115.38 160.17 20.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.517 ' CE2' ' HA3' ' A' ' 15' ' ' GLY . 0.3 OUTLIER -131.59 137.74 48.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 108.025 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.3 t -83.92 131.15 34.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.983 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -174.07 -144.93 5.0 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 87.46 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.45 1.763 . . . . 0.0 110.962 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.99 141.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.974 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.36 153.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.7 174.34 0.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.756 . . . . 0.0 110.014 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.9 p -39.92 -62.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.04 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.68 82.66 0.04 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.456 1.098 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t 75.8 130.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 0.799 . . . . 0.0 110.015 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.0 p -154.93 76.58 1.0 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.968 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.34 167.24 13.39 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.19 147.15 6.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 0.795 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.7 164.4 29.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -173.29 59.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.44 173.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 58.09 -96.81 0.07 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.496 1.122 . . . . 0.0 111.028 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 t 67.6 168.38 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.04 -179.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 110.31 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.403 ' HA3' ' CZ2' ' A' ' 113' ' ' TRP . . . -139.51 -164.61 9.96 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.137 . . . . 0.0 111.03 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.11 139.73 23.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 0.0 110.322 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . 0.429 HD23 ' CD1' ' A' ' 111' ' ' LEU . 1.2 mt -82.21 159.01 23.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 36.0 p-90 -166.97 158.49 12.49 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.474 HD22 ' CD2' ' A' ' 31' ' ' LEU . 1.0 OUTLIER -97.24 150.94 20.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -122.68 109.79 14.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.0 145.36 73.65 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.1 18.98 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.456 1.766 . . . . 0.0 111.04 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.507 ' O ' ' CG2' ' A' ' 23' ' ' THR . 2.8 m 41.5 38.14 0.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.412 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 25' ' ' GLY . . . 69.45 -52.67 0.64 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 24' ' ' GLY . . . 36.56 -140.92 0.24 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 174.01 13.53 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.422 1.748 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 161.51 38.71 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 131.68 14.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.472 1.775 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.2 mp -99.15 118.89 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -85.46 112.43 20.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.972 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.474 ' CD2' HD22 ' A' ' 19' ' ' LEU . 1.0 OUTLIER -62.82 162.2 23.39 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 112.42 3.56 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m -66.1 -28.01 68.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -47.35 -31.87 4.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.66 -7.45 8.93 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 111.023 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -53.84 177.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.478 ' CB ' HG12 ' A' ' 61' ' ' ILE . . . -123.29 121.55 36.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 5.9 tp -91.3 129.1 37.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.1 t -96.1 116.22 37.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.418 ' CD2' HD12 ' A' ' 60' ' ' LEU . 1.9 mm? -99.41 167.76 10.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.72 -155.44 26.47 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.48 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -58.36 149.3 25.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 110.256 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 123.7 -170.51 15.98 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.421 1.076 . . . . 0.0 110.947 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 0.56 8.75 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.534 1.807 . . . . 0.0 111.042 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.465 HD22 ' N ' ' A' ' 45' ' ' LEU . 4.5 mm? -59.79 -62.26 2.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 66.3 p -121.4 19.66 11.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.424 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . 0.511 ' NE2' ' N ' ' A' ' 47' ' ' GLN . 1.7 mp0 57.0 21.38 6.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 54.1 t -83.26 131.27 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.7 p -132.59 29.09 4.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.389 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -87.5 132.84 33.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -58.61 -41.05 84.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.429 ' O ' ' ND2' ' A' ' 77' ' ' ASN . 11.2 mttt -55.1 -27.24 43.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.6 OUTLIER -78.15 163.5 25.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 108.301 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -144.46 139.14 28.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.991 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 54' ' ' SER . 3.8 mtm180 -38.38 -37.2 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -123.6 64.3 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -72.72 -37.46 67.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.7 m -150.23 163.55 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.476 ' HB2' ' CD1' ' A' ' 74' ' ' LEU . 1.3 tt0 -119.26 110.61 17.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.418 HD12 ' CD2' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -93.92 144.64 25.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.478 HG12 ' CB ' ' A' ' 37' ' ' ALA . 58.9 mt -141.64 118.16 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.467 ' CB ' ' HB2' ' A' ' 31' ' ' LEU . . . -74.67 129.79 38.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -127.67 86.03 59.36 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.57 8.75 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.7 -45.19 62.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -133.11 29.66 4.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.569 ' HD2' ' CE3' ' A' ' 113' ' ' TRP . 35.5 mmt-85 45.12 55.98 5.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.443 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 2.1 p -134.32 176.83 8.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 110.361 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.443 ' CG2' ' O ' ' A' ' 68' ' ' THR . 89.2 t -154.9 138.78 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -100.91 140.31 35.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.077 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . . . . . . . . . 69.1 t -124.82 114.81 42.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -115.37 120.46 39.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -74.98 122.33 23.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 110.328 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.476 ' CD1' ' HB2' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -119.52 0.33 11.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.21 -141.89 11.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -123.44 -52.34 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 52' ' ' LYS . 62.2 m-80 -60.2 140.62 91.13 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 121.85 6.82 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.786 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.5 m -91.14 159.2 16.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.959 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.0 m -120.41 116.71 26.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.393 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.2 t -95.55 79.99 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 98.65 -97.39 1.87 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.7 p -129.73 18.39 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -125.15 139.75 53.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -87.59 134.3 33.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 11.0 mt -95.27 -172.05 2.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -143.63 172.69 5.27 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.92 114.26 3.99 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.487 1.783 . . . . 0.0 111.022 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.6 3.56 62.63 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.3 tp -85.9 -179.43 6.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 109.282 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.62 132.79 6.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.019 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.86 -168.71 12.17 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.2 p -129.18 151.78 49.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.754 . . . . 0.0 110.03 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -125.19 116.86 22.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.4 m -87.82 152.31 22.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.043 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 mt -47.59 109.86 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 114.92 -27.73 8.49 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.51 150.27 23.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 0.755 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.501 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 58.7 t -100.76 162.13 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 24.4 tp -141.14 84.45 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.436 ' O ' ' C ' ' A' ' 102' ' ' LEU . 93.7 m-85 -60.73 99.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.46 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -37.76 -58.07 0.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 7.2 p -163.84 173.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 42.81 36.24 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 47.06 22.7 1.36 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.455 1.097 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 40.8 mt -119.29 -171.25 2.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 0.765 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.457 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 3.5 m-85 42.72 61.01 9.71 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.501 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.2 Cg_endo -75.08 135.66 19.21 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.453 1.765 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.46 ' CD2' HD12 ' A' ' 102' ' ' LEU . 4.0 mm? -114.99 94.8 4.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 64.6 m -67.7 136.48 54.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.429 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.429 ' CD1' HD23 ' A' ' 17' ' ' LEU . 16.2 tp -84.77 131.76 34.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -132.93 166.12 23.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.569 ' CE3' ' HD2' ' A' ' 67' ' ' ARG . 11.8 t-105 -126.43 145.28 50.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 108.019 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.408 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 23.4 t -90.27 134.76 34.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 110.008 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 168.7 -170.25 42.19 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 99.24 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.6 t -173.7 166.68 4.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.051 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.2 m 63.44 154.77 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 t -176.05 -58.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 110.034 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 p -88.14 163.99 15.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 109.984 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.12 130.4 18.84 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.5 p -123.88 125.56 44.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 110.012 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.3 t -113.49 -58.04 2.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.055 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.45 164.36 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.65 -55.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 0.753 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 10' ' ' GLN . 0.1 OUTLIER 173.73 143.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.02 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.407 ' O ' ' O ' ' A' ' 9' ' ' SER . 31.9 mt-30 -48.06 -97.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.351 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 10' ' ' GLN . 49.3 mt -40.09 121.05 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.96 -76.25 0.25 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.547 1.154 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 76.6 p -40.57 135.21 1.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.426 0.721 . . . . 0.0 110.02 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.6 mtt85 -87.52 157.89 19.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.262 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.453 ' HA3' ' CZ2' ' A' ' 113' ' ' TRP . . . -57.45 173.65 2.32 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.8 mmt85 -141.11 129.28 22.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.77 . . . . 0.0 110.257 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 mt -81.15 144.6 31.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -166.96 158.45 12.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 108.035 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 14.2 mt -98.92 143.64 29.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -111.36 101.79 10.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.327 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.82 148.36 89.58 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 163.18 35.97 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.49 1.784 . . . . 0.0 111.054 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.9 m -40.77 156.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 110.388 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.34 49.77 66.58 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -152.03 -173.86 22.1 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 173.59 14.26 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.465 1.771 . . . . 0.0 110.985 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 173.62 14.19 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.525 1.802 . . . . 0.0 110.985 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 111.72 3.39 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.45 1.763 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.8 mp -83.87 145.27 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -103.92 109.89 21.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.441 ' HB2' ' CB ' ' A' ' 62' ' ' ALA . 2.3 mt -60.01 159.56 20.19 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 125.04 9.06 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.537 1.809 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -81.18 -29.39 34.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -47.82 -26.93 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.97 -9.69 11.27 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.546 1.154 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -48.14 175.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 0.783 . . . . 0.0 110.298 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.466 ' HB3' ' CG1' ' A' ' 61' ' ' ILE . . . -123.81 118.84 28.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.1 tp -93.16 106.36 18.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.46 ' CG1' ' HA ' ' A' ' 56' ' ' ASN . 1.7 t -76.53 122.46 30.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -96.44 174.07 7.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.13 -155.07 26.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -69.7 139.48 53.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.776 . . . . 0.0 110.331 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.88 -174.9 24.07 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -7.65 19.39 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.447 1.761 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.4 mp -56.06 -60.58 3.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 28.1 p -112.57 6.21 18.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 65.66 14.92 9.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 25.2 t -75.9 132.09 33.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 45.9 p -131.8 27.53 4.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.429 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -88.49 129.86 35.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.227 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.74 -45.44 78.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -48.22 -30.32 4.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -76.97 150.95 35.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.31 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -126.87 136.38 52.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 0.0 110.031 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -38.43 -30.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.46 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 2.4 m120 -130.52 62.31 1.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.6 tp60 -67.28 -58.12 5.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 20.5 m -136.9 163.45 32.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.472 ' HB2' ' CD1' ' A' ' 74' ' ' LEU . 15.9 tt0 -115.51 113.55 23.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -94.09 138.73 31.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.288 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.466 ' CG1' ' HB3' ' A' ' 37' ' ' ALA . 21.5 mt -138.96 116.66 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.441 ' CB ' ' HB2' ' A' ' 31' ' ' LEU . . . -74.54 128.47 35.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.11 90.29 50.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.33 9.04 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.797 . . . . 0.0 111.041 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.62 -41.3 72.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 58.4 m -133.26 23.13 4.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.976 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.0 mpp_? 52.62 43.63 30.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.317 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 2.3 p -126.83 174.17 9.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 110.427 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.401 ' CG2' HD23 ' A' ' 111' ' ' LEU . 48.3 t -142.8 143.02 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -99.15 144.8 27.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.468 ' CG2' HD21 ' A' ' 94' ' ' LEU . 24.0 t -136.17 112.12 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -113.25 126.77 55.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.479 ' OE1' ' N ' ' A' ' 75' ' ' GLY . 1.4 tm0? -72.64 125.08 26.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.472 ' CD1' ' HB2' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -123.58 -5.01 8.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . 0.479 ' N ' ' OE1' ' A' ' 73' ' ' GLN . . . -93.18 -150.24 26.32 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.1 p -117.63 -47.87 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 0.778 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -66.3 140.88 96.98 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 116.27 4.54 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.781 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.7 m -85.95 150.77 24.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.032 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.9 m -102.21 117.29 34.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.371 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.495 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 4.2 t -99.97 75.02 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.6 -96.04 2.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.483 1.115 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.7 p -123.77 13.71 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -124.4 141.94 51.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.077 . . . . 0.0 110.321 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -96.73 123.9 40.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.31 -171.74 3.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . 0.418 ' O ' ' HB3' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -149.34 171.37 6.39 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . 0.464 ' HA ' ' NE2' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -75.06 87.56 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 126.1 1.01 7.48 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.45 1.094 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.4 tp -88.62 -177.32 5.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 0.778 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.89 134.31 9.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.984 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -136.12 -174.89 13.54 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.534 1.146 . . . . 0.0 110.96 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.8 p -133.92 153.38 51.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 0.747 . . . . 0.0 109.981 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.468 HD21 ' CG2' ' A' ' 71' ' ' VAL . 2.9 mm? -114.4 145.06 42.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.477 ' CB ' ' OD2' ' A' ' 98' ' ' ASP . 1.4 m -110.99 171.41 7.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.974 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.6 mt -68.37 116.0 8.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 100.01 -19.51 52.84 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . 0.477 ' OD2' ' CB ' ' A' ' 95' ' ' SER . 84.7 m-20 -63.94 158.92 21.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.521 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 70.5 t -111.0 151.77 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.414 ' CD2' HG21 ' A' ' 71' ' ' VAL . 12.1 tp -132.13 84.47 2.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 102' ' ' LEU . 89.6 m-85 -60.52 98.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.464 ' CD1' HD22 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -36.02 -58.55 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 8.2 p -164.18 174.01 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 43.62 33.9 0.74 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.16 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 49.51 21.09 2.92 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 70.3 mt -119.52 -171.34 2.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.749 . . . . 0.0 109.273 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.452 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 3.9 m-85 43.19 61.46 9.8 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.521 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.2 Cg_endo -74.98 145.36 31.42 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.553 1.817 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.464 HD22 ' CD1' ' A' ' 102' ' ' LEU . 4.1 mm? -122.28 82.52 1.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.7 m -60.05 135.38 57.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.401 HD23 ' CG2' ' A' ' 69' ' ' VAL . 29.1 tp -89.1 141.31 28.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 24.3 mmt180 -143.65 149.94 38.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.329 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.453 ' CZ2' ' HA3' ' A' ' 15' ' ' GLY . 0.1 OUTLIER -126.63 132.95 51.12 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.4 t -81.77 144.49 31.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.03 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -160.54 -150.47 5.89 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 75.41 3.69 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.487 1.783 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.9 -57.58 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.958 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.57 154.09 20.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.1 p -165.05 131.9 2.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.744 . . . . 0.0 109.954 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.03 110.23 16.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.97 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.6 80.82 0.19 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.2 p -85.28 126.51 33.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 0.772 . . . . 0.0 109.976 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.2 p -157.36 92.17 1.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.977 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.76 89.97 0.14 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.515 1.134 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -80.25 109.29 14.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.6 p -170.25 119.0 0.57 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.095 . . . . 0.0 109.991 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.61 127.13 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.7 mt -75.42 -58.25 3.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.64 -149.59 20.48 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.49 151.2 37.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 0.739 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -80.68 -4.83 55.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.508 ' HA3' ' CE2' ' A' ' 113' ' ' TRP . . . 179.14 176.95 47.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -149.38 130.44 14.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 0.794 . . . . 0.0 110.336 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mt -83.86 139.85 32.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.7 p-90 -165.18 151.09 9.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 108.023 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.471 ' CD2' HD22 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -89.78 145.88 24.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -122.38 103.79 8.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.23 132.85 36.38 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 109.978 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 23' ' ' THR . 18.1 Cg_endo -75.07 123.95 8.22 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.463 ' O ' ' CG2' ' A' ' 23' ' ' THR . 4.8 m 33.67 37.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.395 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . -71.52 -54.34 8.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . 0.552 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . 133.61 -48.13 0.97 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 25' ' ' GLY . 18.3 Cg_endo -75.06 154.66 42.39 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.487 1.783 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.5 14.4 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 112.92 3.68 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.535 1.808 . . . . 0.0 110.957 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.0 mp -76.69 122.93 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -90.6 103.91 16.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.471 HD22 ' CD2' ' A' ' 19' ' ' LEU . 1.0 OUTLIER -55.35 161.71 2.66 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 169.65 22.11 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.511 1.795 . . . . 0.0 110.999 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.4 p -113.72 -24.83 8.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 36' ' ' GLN . 1.5 m-20 -75.77 54.79 0.82 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 34' ' ' ASP . . . 32.65 37.63 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.462 ' N ' ' O ' ' A' ' 34' ' ' ASP . 0.2 OUTLIER -83.76 176.09 9.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 110.262 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.529 ' HB3' ' CG1' ' A' ' 61' ' ' ILE . . . -126.21 121.21 32.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 11.3 tp -100.06 107.98 20.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.455 ' CG1' ' HA ' ' A' ' 56' ' ' ASN . 1.8 t -73.43 129.78 36.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 14.3 mt -109.57 173.19 6.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 141.91 -155.04 25.24 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -56.49 147.74 21.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 0.73 . . . . 0.0 110.347 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.39 -178.09 18.07 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -6.25 17.82 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.414 HD13 ' N ' ' A' ' 45' ' ' LEU . 0.4 OUTLIER -55.19 -62.19 1.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 81.9 p -112.81 10.47 19.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.39 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 61.02 23.42 13.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.3 t -83.95 127.29 39.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.6 p -123.43 7.82 9.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -70.23 133.42 47.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -32.39 73.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -60.71 -15.58 30.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -94.74 137.8 33.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 108.3 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -113.83 141.55 47.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.027 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -38.8 -46.07 1.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 110.288 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.455 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 4.3 p30 -113.0 58.42 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 36.2 tp60 -64.13 -53.0 56.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.268 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 14.3 m -140.67 159.34 24.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.485 ' HB2' ' CD1' ' A' ' 74' ' ' LEU . 19.3 tt0 -112.18 118.01 34.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.465 HD22 ' CD2' ' A' ' 100' ' ' LEU . 1.7 mp -103.08 132.78 49.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.529 ' CG1' ' HB3' ' A' ' 37' ' ' ALA . 8.3 mt -129.97 121.37 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.455 ' CB ' ' HB2' ' A' ' 31' ' ' LEU . . . -74.88 135.4 41.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.86 84.74 53.19 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.82 8.44 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.517 1.798 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -74.8 -30.38 61.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.7 m -143.31 16.88 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.953 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.467 ' HG2' ' CE3' ' A' ' 113' ' ' TRP . 1.2 mtt180 55.14 48.51 19.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.405 ' O ' ' CG2' ' A' ' 69' ' ' VAL . 2.9 p -124.95 177.36 6.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.097 . . . . 0.0 110.364 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.46 ' CG2' HD22 ' A' ' 111' ' ' LEU . 84.5 t -153.95 131.52 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -93.69 144.76 25.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.402 HG12 ' CG2' ' A' ' 81' ' ' VAL . 76.8 t -128.76 116.51 41.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 59' ' ' GLU . 8.5 ttpt -122.58 120.66 34.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 31.0 tt0 -79.99 118.85 22.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.368 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.485 ' CD1' ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -115.4 6.08 14.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -97.38 -145.25 18.75 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -119.28 -50.19 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -61.27 137.63 94.43 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 126.79 10.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.496 1.787 . . . . 0.0 111.056 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 m -97.73 159.17 15.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.023 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 89.2 m -119.81 123.88 44.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.393 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.462 HG13 ' CD1' ' A' ' 94' ' ' LEU . 13.2 t -103.32 83.65 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.226 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.52 -96.41 2.03 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.17 15.93 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -124.93 136.86 54.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.19 145.08 28.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.325 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.457 ' CD1' HG22 ' A' ' 81' ' ' VAL . 12.4 mt -104.75 -172.38 2.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 6.7 mttt -142.97 172.67 5.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.283 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 113.94 3.91 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.475 1.776 . . . . 0.0 110.975 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.32 1.18 62.67 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.539 1.149 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.5 tp -83.44 179.85 7.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 109.319 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -156.66 134.93 11.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.961 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.73 -167.83 11.97 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.128 . . . . 0.0 110.954 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.1 p -133.18 153.94 51.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 0.773 . . . . 0.0 109.975 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.462 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -130.33 129.85 43.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.8 p -98.89 160.62 14.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.02 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.459 HD12 ' CB ' ' A' ' 113' ' ' TRP . 3.7 mt -53.3 107.97 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 115.89 -37.94 3.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -48.22 149.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 0.734 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.496 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 61.8 t -99.55 165.38 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.465 ' CD2' HD22 ' A' ' 60' ' ' LEU . 55.6 tp -145.51 84.91 1.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.431 ' O ' ' C ' ' A' ' 102' ' ' LEU . 97.8 m-85 -61.28 99.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.467 HD13 ' CD2' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -38.01 -58.43 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 8.9 p -163.54 173.02 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.4 ' C ' ' N ' ' A' ' 106' ' ' LEU . 0.5 OUTLIER 44.56 35.66 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 46.48 22.61 1.07 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.115 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.4 ' N ' ' C ' ' A' ' 104' ' ' ASN . 49.5 mt -118.46 -170.78 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 0.78 . . . . 0.0 109.283 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.469 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 3.3 m-85 43.41 60.09 11.28 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.496 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.2 Cg_endo -74.96 132.02 15.0 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.523 1.802 . . . . 0.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.467 ' CD2' HD13 ' A' ' 102' ' ' LEU . 3.9 mm? -110.58 110.6 21.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.9 m -80.92 130.15 34.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . 0.46 HD22 ' CG2' ' A' ' 69' ' ' VAL . 49.9 tp -81.12 122.06 26.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -120.99 162.0 20.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.508 ' CE2' ' HA3' ' A' ' 15' ' ' GLY . 3.4 t-105 -133.79 131.26 39.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 108.037 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.402 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 12.5 t -78.18 142.99 37.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.992 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -154.35 143.13 9.69 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 142.94 28.16 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.498 1.788 . . . . 0.0 110.966 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.6 p -169.6 -65.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.3 t 64.47 113.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.988 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -106.96 83.85 1.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 109.994 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.8 p -85.84 129.72 34.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.032 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.34 107.7 0.31 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 t -69.48 138.29 53.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 0.0 109.986 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.99 107.26 3.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.996 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.38 -117.53 1.54 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.45 126.52 27.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 0.744 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.18 129.79 34.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.003 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.34 80.71 4.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 mt -60.05 111.72 1.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.69 61.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 110.964 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.4 t -67.24 129.5 40.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 0.766 . . . . 0.0 109.975 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.1 mtm105 -102.31 170.05 8.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.561 ' HA3' ' CZ2' ' A' ' 113' ' ' TRP . . . -38.15 157.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.143 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.6 ptt180 -150.89 139.53 20.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 0.773 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.64 154.85 28.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.241 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 53.0 p-90 -162.49 160.88 26.69 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.475 ' CD2' HD21 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -98.02 140.42 32.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -108.32 96.35 6.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 110.281 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.36 146.34 98.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.02 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 23' ' ' THR . 18.3 Cg_endo -74.95 162.19 37.66 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.465 1.771 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 22' ' ' PRO . 9.1 t -41.31 162.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.425 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 52.35 36.64 46.48 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -138.6 -173.59 13.05 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 173.67 14.1 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.492 1.785 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 173.93 13.67 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.452 1.764 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 116.7 4.66 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.531 1.806 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.9 mp -89.11 140.39 15.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -107.29 123.67 48.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.939 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' LEU . . . . . 0.476 ' HB2' ' CB ' ' A' ' 62' ' ' ALA . 0.8 OUTLIER -77.69 164.01 60.22 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PRO . . . . . 0.418 ' CG ' ' HB2' ' A' ' 36' ' ' GLN . 18.2 Cg_endo -74.99 148.24 35.04 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.504 1.792 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.1 p -93.32 -35.09 13.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.36 -32.8 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.18 -2.28 6.72 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.518 1.136 . . . . 0.0 111.047 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLN . . . . . 0.418 ' HB2' ' CG ' ' A' ' 32' ' ' PRO . 16.5 mt-30 -52.83 172.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 0.784 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . 0.518 ' HB1' ' CG1' ' A' ' 61' ' ' ILE . . . -124.0 124.52 42.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 7.5 tp -97.52 106.46 18.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.46 ' CG1' ' HA ' ' A' ' 56' ' ' ASN . 1.8 t -71.27 132.67 33.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.364 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 15.0 mt -120.26 154.36 35.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' GLY . . . . . 0.457 ' HA2' ' CD2' ' A' ' 102' ' ' LEU . . . 162.19 -142.74 8.18 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.473 1.108 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 0.7 OUTLIER -65.6 141.0 58.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 0.787 . . . . 0.0 110.284 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.69 -170.88 21.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -1.75 11.63 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.543 1.812 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.438 HD21 ' N ' ' A' ' 45' ' ' LEU . 4.3 mm? -59.06 -62.04 2.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 68.5 p -119.16 12.68 12.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.368 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 65.52 11.49 7.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 13.1 t -73.18 126.59 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.432 ' OG1' ' O ' ' A' ' 49' ' ' THR . 1.4 t -132.81 38.9 3.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.429 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -103.22 131.02 50.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.7 mtm105 -55.24 -40.65 71.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LYS . . . . . 0.449 ' O ' ' ND2' ' A' ' 77' ' ' ASN . 7.8 mmtm -52.04 -30.92 27.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 0.0 OUTLIER -77.38 173.84 11.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.083 . . . . 0.0 108.288 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -151.98 136.5 16.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.019 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ARG . . . . . 0.457 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 0.7 OUTLIER -37.69 -32.22 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ASN . . . . . 0.46 ' HA ' ' CG1' ' A' ' 39' ' ' VAL . 0.1 OUTLIER -123.07 59.8 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -69.22 -35.87 76.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -151.02 169.19 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLU . . . . . 0.443 ' N ' ' O ' ' A' ' 72' ' ' LYS . 4.1 tt0 -123.65 100.13 6.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LEU . . . . . 0.446 ' CD2' HD13 ' A' ' 19' ' ' LEU . 0.7 OUTLIER -83.75 135.83 34.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ILE . . . . . 0.518 ' CG1' ' HB1' ' A' ' 37' ' ' ALA . 4.7 mt -136.64 119.67 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.288 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . 0.476 ' CB ' ' HB2' ' A' ' 31' ' ' LEU . . . -74.08 115.08 13.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.67 86.09 18.16 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 0.88 8.4 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.501 1.79 . . . . 0.0 110.952 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.48 -28.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' SER . . . . . 0.551 ' O ' ' CB ' ' A' ' 67' ' ' ARG . 0.4 OUTLIER -162.91 -47.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.052 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ARG . . . . . 0.551 ' CB ' ' O ' ' A' ' 66' ' ' SER . 0.0 OUTLIER 154.28 70.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.3 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' THR . . . . . 0.438 ' CG2' ' O ' ' A' ' 67' ' ' ARG . 40.0 p -154.48 177.76 10.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.393 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' VAL . . . . . 0.422 ' CG2' ' O ' ' A' ' 68' ' ' THR . 69.1 t -154.82 138.84 8.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.429 1.081 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -91.02 146.01 24.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' VAL . . . . . 0.409 HG12 ' CG2' ' A' ' 81' ' ' VAL . 82.2 t -137.27 103.78 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 59' ' ' GLU . 1.2 ttmp? -107.44 123.36 48.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 35.6 tt0 -79.24 108.31 12.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -99.93 -3.19 32.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -87.77 -142.62 7.98 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 110.95 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -125.91 -52.71 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 0.784 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.449 ' ND2' ' O ' ' A' ' 52' ' ' LYS . 37.9 m-80 -58.24 142.32 81.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.17 9.81 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.4 t -98.13 157.94 15.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.001 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 87.0 m -116.66 107.5 14.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.399 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.494 ' O ' ' CG1' ' A' ' 81' ' ' VAL . 5.0 t -89.57 74.1 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 106.67 -98.02 1.29 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.05 17.58 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.8 tt0 -124.78 140.87 52.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -86.38 136.2 33.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 12.7 mt -99.84 -172.66 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -141.06 169.58 11.19 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 98.24 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 113.66 2.67 24.05 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.9 tp -87.2 178.66 6.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.757 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.55 134.92 10.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.985 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -134.74 -167.87 11.54 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.46 1.1 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.2 m -126.25 143.93 50.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 0.763 . . . . 0.0 110.037 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' LEU . . . . . 0.482 ' CD1' HG21 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -118.43 119.83 35.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.1 m -86.46 164.78 16.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.0 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.463 HD12 ' CB ' ' A' ' 113' ' ' TRP . 9.8 mt -65.38 107.96 1.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 119.36 -29.89 5.99 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.426 1.079 . . . . 0.0 110.966 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.19 171.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 82' ' ' GLY . 19.2 t -121.62 149.91 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.425 ' N ' HG13 ' A' ' 99' ' ' VAL . 10.5 tp -128.7 86.74 2.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' TYR . . . . . 0.506 ' O ' ' C ' ' A' ' 102' ' ' LEU . 90.2 m-85 -62.64 96.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 111.043 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' LEU . . . . . 0.506 ' C ' ' O ' ' A' ' 101' ' ' TYR . 0.0 OUTLIER -32.22 -59.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 14.4 p -164.56 171.74 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' ASN . . . . . 0.455 ' O ' ' N ' ' A' ' 106' ' ' LEU . 0.5 OUTLIER 41.52 42.78 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 40.18 26.4 0.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.515 1.135 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 104' ' ' ASN . 28.6 mt -119.91 -170.2 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 0.764 . . . . 0.0 109.285 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' TYR . . . . . 0.493 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 11.3 m-85 37.45 58.89 4.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' PRO . . . . . 0.493 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.3 Cg_endo -74.97 -178.4 4.14 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.5 1.789 . . . . 0.0 110.958 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 5.2 mp -153.08 173.16 15.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.353 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 91.4 m -133.33 103.42 5.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.401 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 43.3 tp -60.31 130.84 48.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 21.0 mmt180 -133.19 168.09 19.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.303 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' TRP . . . . . 0.561 ' CZ2' ' HA3' ' A' ' 15' ' ' GLY . 0.3 OUTLIER -130.7 150.39 51.91 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . 0.443 ' O ' ' NE1' ' A' ' 113' ' ' TRP . 5.1 t -102.83 127.31 50.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -108.8 -153.88 16.2 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.528 1.143 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 92.75 0.97 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.523 1.801 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.52 131.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 74.5 p -146.48 121.8 10.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.127 . . . . 0.0 110.056 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.45 1.094 . . . . 0.0 110.982 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.478 HD22 HD11 ' A' ' 111' ' ' LEU . 9.7 mt . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.527 ' CZ2' ' HB3' ' A' ' 112' ' ' ARG . 50.8 p-90 -166.83 169.29 13.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 108.012 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.407 ' HG ' HD21 ' A' ' 31' ' ' LEU . 11.1 mt -112.55 141.9 45.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.274 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 107.43 2.48 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 mp -80.41 134.54 27.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -96.25 104.22 16.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.839 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 2.4 mt -53.36 153.88 6.68 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 123.77 8.14 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.475 1.776 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.408 ' C ' ' N ' ' A' ' 35' ' ' GLY . 90.3 p -79.59 -31.22 41.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.974 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -45.69 -26.29 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 33' ' ' SER . . . 115.41 -5.7 21.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -53.39 175.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 0.0 110.257 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.79 ' HB1' ' HG2' ' A' ' 59' ' ' GLU . . . -119.2 120.56 37.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.264 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 tp -93.99 101.64 13.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.635 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.7 t -72.62 126.92 34.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.538 HD12 HD13 ' A' ' 60' ' ' LEU . 16.3 mt -107.88 155.22 20.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.459 ' HA2' ' CD2' ' A' ' 102' ' ' LEU . . . 162.43 -153.6 24.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -64.01 139.51 58.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 110.332 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.84 -172.33 22.64 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.459 1.099 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -9.67 20.9 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.523 1.801 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mp -52.63 -60.89 2.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 61.2 p -114.9 7.42 15.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.434 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 65.6 20.27 11.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.402 HG11 ' SG ' ' A' ' 53' ' ' CYS . 16.0 t -83.52 129.86 36.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.5 p -129.86 28.62 5.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.419 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -92.6 125.28 37.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -29.51 44.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.403 ' O ' ' OD1' ' A' ' 77' ' ' ASN . 29.9 mmtt -62.34 -22.13 65.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.559 ' SG ' HD22 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -90.82 140.05 30.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 108.274 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -112.9 138.21 50.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 110.007 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.1 OUTLIER -38.39 -35.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.635 ' HA ' HG13 ' A' ' 39' ' ' VAL . 2.5 p30 -124.29 59.23 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -63.61 -47.05 83.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 110.344 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.474 HG12 ' HA ' ' A' ' 73' ' ' GLN . 0.7 OUTLIER -146.16 167.74 7.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 1.006 ' HB2' HD11 ' A' ' 74' ' ' LEU . 6.5 tt0 -121.27 109.31 14.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.809 HD11 HD21 ' A' ' 100' ' ' LEU . 2.6 mp -93.4 141.28 28.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.544 HD11 ' HB2' ' A' ' 37' ' ' ALA . 21.2 mt -138.72 120.36 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.839 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.8 118.4 17.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -115.94 88.06 20.45 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.31 9.07 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.503 1.791 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.31 -38.05 89.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.254 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.5 m -144.05 29.4 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.028 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.16 55.78 8.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.269 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.8 p -134.89 175.25 9.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.416 HG13 ' O ' ' A' ' 61' ' ' ILE . 98.9 t -148.21 132.27 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -93.59 140.61 29.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.545 HG21 HD13 ' A' ' 94' ' ' LEU . 94.4 t -128.04 130.97 69.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 4.9 ttpt -133.61 124.14 26.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.474 ' HA ' HG12 ' A' ' 58' ' ' VAL . 33.5 tt0 -79.12 120.13 23.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.006 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -117.8 2.21 12.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -97.36 -148.17 23.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -118.73 -45.63 3.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 52' ' ' LYS . 2.2 m120 -62.2 138.28 96.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.257 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 122.64 7.36 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.537 1.809 . . . . 0.0 111.025 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -93.34 159.32 15.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.971 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.0 m -120.65 123.15 42.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.414 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.705 ' O ' HG12 ' A' ' 81' ' ' VAL . 4.0 t -103.26 78.01 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 100.54 -93.6 1.21 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.405 ' O ' HG22 ' A' ' 83' ' ' VAL . 9.4 p -134.18 16.99 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.766 . . . . 0.0 109.373 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 85' ' ' GLU . 1.9 tt0 -125.4 136.72 53.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.402 ' N ' ' HG3' ' A' ' 84' ' ' GLN . 1.0 OUTLIER -82.18 142.85 31.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 86' ' ' LEU . 11.0 mt -101.33 -173.83 2.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.51 ' HB2' HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -141.02 171.56 7.41 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.417 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -75.08 114.01 3.92 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.494 1.787 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.59 2.11 61.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.445 1.091 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.51 HD22 ' HB2' ' A' ' 87' ' ' LYS . 5.1 tp -84.34 -178.86 7.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 0.3 OUTLIER -160.13 141.62 12.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.058 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -140.63 -168.04 11.25 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.5 p -131.76 151.87 51.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.756 . . . . 0.0 109.993 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.545 HD13 HG21 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -126.17 130.18 50.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -94.57 165.41 12.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.49 HD11 ' CB ' ' A' ' 113' ' ' TRP . 4.3 mt -60.9 108.17 0.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 115.48 -28.03 8.08 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -56.93 154.48 9.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.289 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 55.8 t -105.34 160.2 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.809 HD21 HD11 ' A' ' 60' ' ' LEU . 29.7 tp -141.08 84.29 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.44 ' O ' ' C ' ' A' ' 102' ' ' LEU . 95.2 m-85 -62.21 99.99 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.811 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -36.74 -59.52 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.535 HG12 ' SG ' ' A' ' 53' ' ' CYS . 3.3 p -163.33 167.73 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.535 ' N ' HG22 ' A' ' 103' ' ' VAL . 0.6 OUTLIER 50.72 30.42 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.403 ' O ' ' CD1' ' A' ' 101' ' ' TYR . . . 50.97 20.59 4.49 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 66.9 mt -114.7 -171.91 2.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.446 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 14.9 m-85 43.87 61.78 10.17 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.446 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.2 Cg_endo -75.01 139.53 24.35 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.532 1.806 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.811 ' CD2' HD12 ' A' ' 102' ' ' LEU . 3.6 mm? -117.13 103.29 10.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 61.3 m -76.72 125.5 29.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 110.406 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.478 HD11 HD22 ' A' ' 17' ' ' LEU . 18.8 tp -81.87 128.82 34.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.527 ' HB3' ' CZ2' ' A' ' 18' ' ' TRP . 23.8 mmt180 -133.5 155.61 49.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.351 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.49 ' CB ' HD11 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -129.32 133.58 47.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 108.018 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.444 ' O ' ' NE1' ' A' ' 113' ' ' TRP . 24.9 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 41.1 p-90 -167.05 171.32 11.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 108.016 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.416 HD11 HD22 ' A' ' 60' ' ' LEU . 23.3 mt -110.14 144.78 38.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.342 179.949 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.912 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 105.01 2.0 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.52 1.8 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.4 mp -78.85 129.35 37.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -98.74 115.38 28.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.92 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 0.3 OUTLIER -68.57 164.7 42.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.752 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.2 Cg_endo -74.95 173.69 14.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.792 . . . . 0.0 111.021 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.1 p -120.84 -38.22 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -48.17 -30.65 4.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.22 -1.57 7.15 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -49.48 172.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 110.351 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.775 ' HB1' ' HG3' ' A' ' 59' ' ' GLU . . . -124.62 118.93 27.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 38' ' ' LEU . 8.7 tp -90.99 109.21 20.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.093 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.605 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.8 t -80.41 133.29 29.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.3 mt -116.54 156.78 26.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.249 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.37 -160.85 33.08 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.458 1.099 . . . . 0.0 111.004 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -53.51 144.1 17.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 0.788 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 127.2 -171.37 18.76 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -3.25 13.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.486 1.782 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.99 -61.37 2.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.542 HG21 HD11 ' A' ' 102' ' ' LEU . 63.3 p -115.39 7.68 15.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.429 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 64.82 20.19 12.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.629 HG11 ' SG ' ' A' ' 53' ' ' CYS . 8.8 t -83.05 133.81 28.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.1 p -116.82 -12.1 10.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.447 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -53.41 128.02 27.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -59.28 -47.65 84.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -46.64 -27.61 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.629 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -79.54 113.87 18.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 108.307 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.24 139.09 31.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.3 mtt-85 -38.48 -34.14 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.605 ' HA ' HG13 ' A' ' 39' ' ' VAL . 2.9 m120 -124.39 58.95 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.085 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.655 ' HG3' HG13 ' A' ' 58' ' ' VAL . 38.0 tp60 -65.79 -48.34 72.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.655 HG13 ' HG3' ' A' ' 57' ' ' GLN . 6.1 m -138.32 170.63 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.775 ' HG3' ' HB1' ' A' ' 37' ' ' ALA . 16.3 tt0 -128.82 108.09 10.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.644 HD21 HD23 ' A' ' 100' ' ' LEU . 3.3 mp -92.75 139.86 30.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.563 ' O ' HG13 ' A' ' 69' ' ' VAL . 24.2 mt -134.29 125.88 48.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.92 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -75.62 125.79 29.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.63 86.57 52.69 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -3.33 13.77 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.57 1.826 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -64.88 -50.89 64.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.666 ' O ' HG23 ' A' ' 68' ' ' THR . 0.6 OUTLIER -129.55 36.9 4.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.529 ' NH1' ' CZ2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER 41.69 54.94 3.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.666 HG23 ' O ' ' A' ' 66' ' ' SER . 1.9 p -133.0 177.45 7.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 61' ' ' ILE . 95.0 t -150.11 125.91 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -86.02 145.34 27.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.575 HG21 HD13 ' A' ' 94' ' ' LEU . 90.5 t -130.71 138.89 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 2.1 ttpt -139.99 120.42 14.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.434 ' HA ' HG12 ' A' ' 58' ' ' VAL . 36.9 tt0 -78.28 113.71 16.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.772 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -107.93 3.24 23.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.1 -147.4 22.58 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 p -120.29 -47.88 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 0.773 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -62.69 139.84 97.02 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 124.74 8.84 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.465 1.771 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 86' ' ' LEU . 9.9 m -93.17 159.07 15.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.9 m -117.1 122.71 44.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.43 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.796 HG13 HD12 ' A' ' 94' ' ' LEU . 39.3 t -103.15 89.01 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.53 -92.79 1.75 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.498 1.123 . . . . 0.0 110.967 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.401 ' O ' HG22 ' A' ' 83' ' ' VAL . 8.6 p -131.47 19.9 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.53 0.782 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -125.1 146.27 49.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.22 139.21 31.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 79' ' ' SER . 10.7 mt -102.65 -172.91 2.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -143.67 170.55 8.3 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.424 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -75.01 96.23 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 116.77 -0.63 19.94 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.3 tp -85.23 -178.23 6.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.753 . . . . 0.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 0.6 OUTLIER -159.46 143.52 14.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -143.63 -167.93 11.97 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.34 153.92 49.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 110.002 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.796 HD12 HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -124.37 129.3 50.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 m -96.33 148.59 22.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 110.028 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.74 HD11 ' HB2' ' A' ' 113' ' ' TRP . 5.9 mt -43.86 110.46 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.409 1.068 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 112.29 -39.74 2.77 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -46.2 148.61 0.85 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 0.73 . . . . 0.0 109.255 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.417 ' CG1' ' HB3' ' A' ' 108' ' ' PRO . 55.5 t -97.32 160.69 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.648 HD13 HG22 ' A' ' 81' ' ' VAL . 52.4 tp -142.97 84.83 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.439 ' O ' ' C ' ' A' ' 102' ' ' LEU . 95.3 m-85 -62.53 99.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.551 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -37.15 -59.89 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.681 HG22 ' H ' ' A' ' 104' ' ' ASN . 5.2 p -161.24 178.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.681 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.8 OUTLIER 42.44 32.3 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 49.84 20.59 3.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 41.5 mt -119.7 -170.97 2.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 0.744 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.475 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 2.7 m-85 48.62 60.3 15.75 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.475 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.4 Cg_endo -75.02 130.61 13.41 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.467 1.772 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.551 ' CD2' HD12 ' A' ' 102' ' ' LEU . 4.0 mm? -108.6 98.29 7.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 97.6 m -69.86 125.31 26.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 110.388 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.554 HD21 HG23 ' A' ' 69' ' ' VAL . 38.0 tp -82.62 126.01 31.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -124.65 162.73 23.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.74 ' HB2' HD11 ' A' ' 96' ' ' LEU . 7.6 t-105 -123.14 138.79 54.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 108.009 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.57 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.004 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.525 HD22 HD11 ' A' ' 111' ' ' LEU . 1.1 mt . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.445 ' CE3' ' HB2' ' A' ' 28' ' ' PRO . 50.1 p-90 -166.92 157.01 11.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 108.032 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.914 ' CD2' HD21 ' A' ' 31' ' ' LEU . 0.7 OUTLIER -96.04 143.34 27.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.923 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 28' ' ' PRO . . . . . 0.445 ' HB2' ' CE3' ' A' ' 18' ' ' TRP . 18.3 Cg_endo -74.94 105.37 2.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.463 1.77 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 mp -78.63 141.3 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -104.29 114.21 28.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.914 HD21 ' CD2' ' A' ' 19' ' ' LEU . 2.0 mt -64.53 160.44 52.08 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.441 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.3 Cg_endo -75.02 124.48 8.64 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.3 m -78.43 -22.94 46.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.555 1.16 . . . . 0.0 110.009 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.01 -34.02 58.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.12 -11.08 6.19 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.513 1.133 . . . . 0.0 110.958 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -48.57 168.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 0.752 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.813 ' HB1' ' HG3' ' A' ' 59' ' ' GLU . . . -117.1 122.36 43.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.3 tp -92.28 99.64 12.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.63 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.5 t -70.61 116.97 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.505 HD23 HD11 ' A' ' 102' ' ' LEU . 1.0 OUTLIER -93.45 173.34 7.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 140.14 -162.59 26.4 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -53.95 143.25 22.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 0.733 . . . . 0.0 110.289 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.51 -179.1 18.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.499 1.125 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.14 9.59 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mp -59.96 -60.36 3.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.71 ' OG1' HG23 ' A' ' 48' ' ' VAL . 43.5 p -114.62 8.33 16.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.435 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 66.99 15.97 10.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.71 HG23 ' OG1' ' A' ' 46' ' ' THR . 57.4 t -74.66 126.42 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 40.7 p -127.56 33.27 4.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -97.26 132.12 43.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.99 -31.18 72.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -62.91 -15.93 57.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.451 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -90.85 136.71 32.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 108.286 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -108.38 134.56 51.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.986 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.58 -31.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.247 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.63 ' HA ' HG13 ' A' ' 39' ' ' VAL . 1.1 p30 -126.21 56.43 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.522 ' HG3' HG13 ' A' ' 58' ' ' VAL . 36.3 tp60 -61.79 -46.09 91.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.337 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.522 HG13 ' HG3' ' A' ' 57' ' ' GLN . 10.3 m -145.6 157.52 12.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.855 ' HB2' HD11 ' A' ' 74' ' ' LEU . 27.0 tt0 -113.55 99.62 7.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.732 HD21 HD23 ' A' ' 100' ' ' LEU . 3.1 mp -80.72 141.61 34.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.557 HG22 ' OD1' ' A' ' 63' ' ' ASP . 90.6 mt -139.93 116.21 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.897 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.55 120.93 20.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.557 ' OD1' HG22 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -121.99 84.42 44.89 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.568 1.168 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 0.57 8.74 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -64.89 -42.78 94.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.314 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.25 16.62 4.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.97 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.571 ' CD ' ' CZ3' ' A' ' 113' ' ' TRP . 7.5 mmt-85 60.21 69.22 0.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.6 p -148.99 174.8 11.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.429 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.438 ' CG2' HD22 ' A' ' 111' ' ' LEU . 93.5 t -146.95 125.88 4.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.44 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . . . -87.99 146.03 25.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.61 HG21 HD13 ' A' ' 94' ' ' LEU . 87.0 t -137.41 111.94 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -112.65 120.75 42.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.42 ' HG2' ' HA ' ' A' ' 88' ' ' PRO . 31.6 tt0 -72.49 117.17 13.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.855 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -119.51 8.06 11.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -101.0 -146.16 18.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -120.26 -51.34 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.449 0.735 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -63.52 141.38 97.87 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 126.83 10.23 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.468 1.773 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.0 m -97.61 159.25 15.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.1 m -119.04 108.23 14.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.402 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.851 HG13 HD12 ' A' ' 94' ' ' LEU . 8.1 t -87.38 73.41 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.361 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 105.05 -95.84 1.15 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.541 1.15 . . . . 0.0 110.993 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.1 p -132.43 16.62 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.435 0.727 . . . . 0.0 109.334 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -125.16 129.17 49.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.66 140.43 42.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 86' ' ' LEU . 11.7 mt -101.6 -173.67 2.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.47 174.33 3.7 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.42 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -74.96 108.47 2.72 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.514 1.797 . . . . 0.0 111.03 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.4 1.14 55.62 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.545 1.153 . . . . 0.0 111.021 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.1 tp -88.67 -176.85 5.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 28.7 t -156.26 171.36 20.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -160.63 -167.76 21.59 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.449 1.093 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 92.2 p -138.62 129.98 27.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 0.747 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.851 HD12 HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -104.19 129.06 51.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 60.4 m -98.42 165.36 11.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.981 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.451 HD21 ' N ' ' A' ' 113' ' ' TRP . 4.6 mt -59.17 105.15 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 116.16 -28.12 7.78 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.529 1.143 . . . . 0.0 110.953 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -57.52 148.37 24.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.744 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.518 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 60.0 t -99.06 160.87 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.732 HD23 HD21 ' A' ' 60' ' ' LEU . 18.2 tp -140.62 84.38 1.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.42 ' O ' ' C ' ' A' ' 102' ' ' LEU . 95.0 m-85 -60.43 99.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.505 HD11 HD23 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -37.58 -58.27 0.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.571 HG22 ' H ' ' A' ' 104' ' ' ASN . 9.1 p -163.2 172.88 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.571 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.4 OUTLIER 43.2 36.41 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 46.84 22.89 1.28 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 30.0 mt -118.49 -171.41 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.46 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 3.6 m-85 43.0 60.77 10.22 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.518 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.02 138.85 23.53 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.509 1.794 . . . . 0.0 110.954 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.51 HD22 ' C ' ' A' ' 108' ' ' PRO . 4.0 mm? -117.39 101.96 8.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 19' ' ' LEU . 32.0 m -74.81 130.62 39.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.366 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.525 HD11 HD22 ' A' ' 17' ' ' LEU . 16.2 tp -83.19 134.94 34.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.464 ' H ' HD12 ' A' ' 111' ' ' LEU . 23.4 mmt180 -139.53 151.79 46.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.571 ' CZ3' ' CD ' ' A' ' 67' ' ' ARG . 8.1 t-105 -110.57 141.87 43.17 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.022 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.66 HD22 HD11 ' A' ' 111' ' ' LEU . 3.2 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.433 ' CB ' ' O ' ' A' ' 29' ' ' ILE . 53.2 p-90 -166.39 157.04 12.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 107.96 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.801 ' CD2' HD21 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -94.0 144.88 25.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.268 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 110.979 -0.431 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 118.35 5.22 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.548 1.815 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.51 HD11 ' O ' ' A' ' 45' ' ' LEU . 2.7 mp -86.08 140.38 15.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -104.3 107.22 18.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.889 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 0.5 OUTLIER -63.61 164.0 17.93 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.882 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.1 Cg_endo -75.04 152.49 40.63 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.515 1.798 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.4 m -102.16 -27.3 12.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.009 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -50.09 -36.85 31.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.62 -6.82 5.88 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.438 1.086 . . . . 0.0 111.034 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -51.21 -179.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 0.782 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.638 ' HB1' ' CG ' ' A' ' 59' ' ' GLU . . . -130.0 123.31 30.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.418 ' HA ' HD12 ' A' ' 38' ' ' LEU . 6.9 tp -92.88 106.79 18.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.714 HG13 ' HA ' ' A' ' 56' ' ' ASN . 2.0 t -70.88 121.38 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.585 HD23 HD11 ' A' ' 102' ' ' LEU . 1.0 OUTLIER -96.08 173.56 7.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.96 -165.21 25.69 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.501 1.125 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -46.75 148.59 1.0 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 0.786 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.84 178.39 15.46 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.453 1.096 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -8.48 20.12 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.806 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.51 ' O ' HD11 ' A' ' 29' ' ' ILE . 6.2 mp -57.68 -59.95 4.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.648 HG21 HD11 ' A' ' 102' ' ' LEU . 63.2 p -106.89 -2.65 21.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.366 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 65.9 29.08 10.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.661 HG11 ' SG ' ' A' ' 53' ' ' CYS . 11.7 t -90.93 133.35 32.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 50' ' ' ASP . 39.4 p -119.17 -33.25 4.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.426 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 49' ' ' THR . 49.2 t0 -39.04 123.62 1.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -58.02 -22.49 50.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.402 ' O ' ' CG ' ' A' ' 77' ' ' ASN . 57.1 mmtt -60.78 -15.28 28.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.661 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -96.71 140.99 30.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 108.31 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -116.18 138.56 51.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -38.94 -40.64 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.266 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.714 ' HA ' HG13 ' A' ' 39' ' ' VAL . 4.1 m-20 -117.77 58.06 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.56 ' HG3' HG13 ' A' ' 58' ' ' VAL . 45.9 tp60 -63.12 -51.22 67.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.338 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.56 HG13 ' HG3' ' A' ' 57' ' ' GLN . 4.6 m -141.96 163.89 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.94 ' HB2' HD11 ' A' ' 74' ' ' LEU . 3.5 tt0 -115.39 107.13 14.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.53 HD21 HD23 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -90.37 144.01 26.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.349 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.723 ' O ' HG13 ' A' ' 69' ' ' VAL . 69.5 mt -140.79 121.21 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.889 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -78.85 118.87 21.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.78 86.43 30.22 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 0.31 9.06 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.491 1.785 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -47.63 84.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.423 ' O ' HG23 ' A' ' 68' ' ' THR . 0.4 OUTLIER -137.72 31.84 2.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 109.951 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.608 ' CD ' ' CE3' ' A' ' 113' ' ' TRP . 6.5 mmt-85 50.71 67.41 0.94 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.48 ' C ' HG23 ' A' ' 69' ' ' VAL . 6.8 p -146.16 177.26 9.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.437 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.723 HG13 ' O ' ' A' ' 61' ' ' ILE . 99.6 t -155.64 141.67 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.2 144.84 30.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.428 HG11 HD11 ' A' ' 100' ' ' LEU . 86.0 t -132.95 114.5 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -116.61 119.09 34.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -74.97 112.29 11.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.94 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -110.15 -5.28 15.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.241 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.12 -140.95 7.89 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.547 1.155 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -124.25 -53.08 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.473 ' HB3' HG23 ' A' ' 103' ' ' VAL . 3.1 m120 -53.86 137.26 55.26 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 124.67 8.81 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.492 1.785 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.8 m -95.01 159.2 15.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 110.042 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.2 m -122.43 108.51 13.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.417 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.661 HG13 HD12 ' A' ' 94' ' ' LEU . 24.6 t -89.47 83.57 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.3 -98.65 2.22 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.8 p -131.37 17.08 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.516 0.774 . . . . 0.0 109.223 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -125.15 132.33 53.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -75.88 145.08 40.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 86' ' ' LEU . 12.0 mt -103.87 -172.52 2.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.522 ' HB2' HD22 ' A' ' 90' ' ' LEU . 10.5 mtpt -144.21 171.68 6.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 114.39 4.01 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.5 1.79 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.84 2.12 61.34 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.522 HD22 ' HB2' ' A' ' 87' ' ' LYS . 5.2 tp -83.97 -179.77 7.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.82 132.51 6.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.033 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -130.69 -169.4 12.46 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.538 1.148 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 26.7 m -133.05 152.23 51.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 0.797 . . . . 0.0 109.977 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.661 HD12 HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -125.67 133.45 52.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.102 . . . . 0.0 109.346 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 74.9 m -99.01 170.61 8.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.005 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.515 HD21 ' C ' ' A' ' 112' ' ' ARG . 4.0 mt -65.83 103.19 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 119.53 -22.87 8.65 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.36 156.84 18.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.751 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.442 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 75.2 t -107.05 159.56 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.602 HD13 HG22 ' A' ' 81' ' ' VAL . 37.7 tp -141.08 84.27 1.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.434 ' O ' ' C ' ' A' ' 102' ' ' LEU . 97.6 m-85 -60.15 99.77 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.717 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -37.85 -58.22 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.559 HG22 ' H ' ' A' ' 104' ' ' ASN . 10.8 p -163.46 172.54 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.559 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.4 OUTLIER 43.35 38.71 1.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 43.96 24.55 0.53 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.412 ' N ' ' C ' ' A' ' 104' ' ' ASN . 28.3 mt -119.62 -171.27 2.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.462 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 4.7 m-85 42.12 60.5 9.27 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.462 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.5 Cg_endo -74.97 132.98 16.07 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.547 1.814 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.717 ' CD2' HD12 ' A' ' 102' ' ' LEU . 3.8 mm? -112.03 103.72 11.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 19' ' ' LEU . 4.9 m -78.26 128.69 34.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.428 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.66 HD11 HD22 ' A' ' 17' ' ' LEU . 27.5 tp -78.75 137.16 37.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.515 ' C ' HD21 ' A' ' 96' ' ' LEU . 22.7 mmt180 -135.27 175.53 9.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.608 ' CE3' ' CD ' ' A' ' 67' ' ' ARG . 1.6 t-105 -148.04 128.07 13.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 0.0 108.0 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.571 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 10.8 t . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 41.3 p-90 -166.94 174.41 8.48 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.702 HD11 HD22 ' A' ' 60' ' ' LEU . 14.9 mt -114.31 143.95 44.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.922 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 104.99 2.0 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.2 mp -77.67 124.11 35.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.235 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -89.63 110.54 21.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 111.031 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.91 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 2.0 mt -62.13 161.33 24.68 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 126.62 10.08 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.522 1.801 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.2 m -86.22 -27.65 24.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.48 -38.66 63.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 138.65 -12.86 3.44 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -49.18 176.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.759 . . . . 0.0 110.271 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.716 ' HB1' ' CG ' ' A' ' 59' ' ' GLU . . . -125.34 125.97 44.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 38' ' ' LEU . 9.1 tp -92.62 106.77 18.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.704 HG13 ' HA ' ' A' ' 56' ' ' ASN . 2.0 t -76.37 111.35 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.466 HD22 HD13 ' A' ' 60' ' ' LEU . 1.4 mp -95.55 158.46 15.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.431 ' HA2' HD21 ' A' ' 102' ' ' LEU . . . 155.39 -155.47 26.28 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -61.13 142.97 56.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 0.794 . . . . 0.0 110.296 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 128.98 -170.32 20.15 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -1.76 11.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.779 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.15 -61.8 2.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.461 ' CG2' ' HG ' ' A' ' 40' ' ' LEU . 69.6 p -117.51 9.79 13.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 64.93 18.35 11.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.5 HG11 ' SG ' ' A' ' 53' ' ' CYS . 54.5 t -81.63 134.39 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 48.2 p -130.05 28.21 5.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.374 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -88.94 127.95 35.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -54.17 -44.24 71.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -53.63 -28.41 32.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.5 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -79.44 124.1 28.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 108.278 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -102.43 141.17 35.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 54' ' ' SER . 18.3 mtp180 -38.19 -38.47 0.34 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.704 ' HA ' HG13 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -122.02 62.27 0.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 40.5 tp60 -70.31 -34.55 72.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.0 m -151.22 169.43 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 109.312 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.716 ' CG ' ' HB1' ' A' ' 37' ' ' ALA . 4.1 tt0 -128.96 105.2 8.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.702 HD22 HD11 ' A' ' 19' ' ' LEU . 1.9 mp -90.39 141.01 29.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.506 HD11 ' HB2' ' A' ' 37' ' ' ALA . 40.7 mt -140.77 117.04 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.91 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.49 127.59 33.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -126.15 87.29 56.42 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.73 8.56 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.467 1.772 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.38 -48.14 62.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.7 m -125.73 24.3 7.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.005 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.566 ' HD3' ' CZ3' ' A' ' 113' ' ' TRP . 0.2 OUTLIER 51.19 54.31 11.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.9 p -138.2 172.29 13.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.143 . . . . 0.0 110.409 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 61' ' ' ILE . 84.1 t -141.18 128.56 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.478 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . . . -85.28 145.98 27.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.69 HG21 HD13 ' A' ' 94' ' ' LEU . 38.6 t -132.97 137.39 53.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.505 ' HG2' HD23 ' A' ' 74' ' ' LEU . 3.6 ttpt -145.49 124.92 13.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.423 ' HG2' ' HA ' ' A' ' 88' ' ' PRO . 37.5 tt0 -84.06 118.58 24.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.505 HD23 ' HG2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -109.83 -1.34 17.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.55 -145.17 15.68 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -121.95 -50.91 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.782 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -56.56 139.43 75.42 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 122.07 6.97 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.801 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.0 m -90.92 158.66 16.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.984 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 86.9 m -118.11 120.54 38.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.795 HG13 ' CD1' ' A' ' 94' ' ' LEU . 76.0 t -101.29 90.22 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.4 -92.39 1.72 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.424 ' O ' HG22 ' A' ' 83' ' ' VAL . 10.7 p -132.8 20.31 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 0.743 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -125.12 148.0 48.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.69 141.69 28.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.491 HD11 HG21 ' A' ' 81' ' ' VAL . 11.3 mt -105.84 -172.37 2.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -143.62 169.44 10.42 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.292 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.423 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.99 95.76 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 117.13 1.59 18.77 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.0 tp -86.01 -177.77 6.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 0.6 OUTLIER -158.99 139.67 12.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.008 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -138.49 -167.91 11.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.68 146.79 51.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.775 . . . . 0.0 109.959 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.795 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -119.57 129.68 54.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.2 m -98.2 163.67 12.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.043 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.435 HD21 ' N ' ' A' ' 113' ' ' TRP . 2.3 mt -56.14 107.84 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 114.89 -35.18 4.52 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.95 150.64 2.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.417 ' CG1' ' HB3' ' A' ' 108' ' ' PRO . 40.3 t -104.05 157.37 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.542 HD23 HD21 ' A' ' 60' ' ' LEU . 49.9 tp -137.66 84.44 2.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.337 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.435 ' O ' ' C ' ' A' ' 102' ' ' LEU . 90.2 m-85 -61.94 98.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.586 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -37.47 -58.33 0.86 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.622 HG22 ' H ' ' A' ' 104' ' ' ASN . 9.9 p -163.08 174.96 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.622 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.5 OUTLIER 43.8 34.17 0.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 47.61 22.52 1.81 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 40.0 mt -119.84 -171.19 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 109.25 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.471 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 3.0 m-85 47.33 60.38 15.25 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.471 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.3 Cg_endo -74.97 126.78 10.21 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.508 1.794 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.586 ' CD2' HD12 ' A' ' 102' ' ' LEU . 3.8 mm? -105.16 88.01 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 86.6 m -62.51 131.23 48.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.399 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.518 HD12 ' N ' ' A' ' 112' ' ' ARG . 11.1 tp -82.14 127.96 33.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.518 ' N ' HD12 ' A' ' 111' ' ' LEU . 30.5 mmt180 -130.82 157.03 43.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.566 ' CZ3' ' HD3' ' A' ' 67' ' ' ARG . 2.0 t-105 -118.29 147.59 43.3 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.401 ' O ' ' NE1' ' A' ' 113' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 110.009 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.493 HD22 HD11 ' A' ' 111' ' ' LEU . 3.3 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 22.4 p-90 -166.94 171.48 11.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 107.963 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.9 mt -114.09 139.83 48.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.844 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 123.67 8.03 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.508 HD11 ' O ' ' A' ' 45' ' ' LEU . 2.7 mp -94.23 131.57 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -101.54 110.87 22.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.791 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 2.1 mt -61.23 156.53 49.68 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.485 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.3 Cg_endo -74.96 135.97 19.85 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.467 1.772 . . . . 0.0 111.018 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 m -88.98 -31.32 18.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.039 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -46.52 -29.68 1.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.33 -0.16 12.75 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.517 1.135 . . . . 0.0 110.987 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.753 ' O ' HG23 ' A' ' 61' ' ' ILE . 30.6 mt-30 -57.23 167.14 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.675 ' HB1' ' HG2' ' A' ' 59' ' ' GLU . . . -115.27 120.47 39.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 38' ' ' LEU . 11.6 tp -98.41 114.91 27.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.526 HG11 ' CG ' ' A' ' 56' ' ' ASN . 2.3 t -87.45 129.35 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 40' ' ' LEU . 13.4 mt -101.15 172.35 7.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.91 -154.27 25.44 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 0.6 OUTLIER -68.01 137.38 55.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 110.295 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.16 -175.42 23.99 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -0.18 9.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.566 1.824 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.508 ' O ' HD11 ' A' ' 29' ' ' ILE . 6.5 mp -61.01 -60.49 3.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.415 HG21 HD11 ' A' ' 102' ' ' LEU . 56.0 p -114.62 9.09 16.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.443 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 65.19 23.09 12.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.087 . . . . 0.0 110.274 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.712 HG11 ' SG ' ' A' ' 53' ' ' CYS . 85.3 t -86.59 129.54 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.5 p -131.19 20.19 4.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.442 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -79.76 138.9 37.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.361 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -64.35 -22.73 67.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -70.21 -27.41 64.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.712 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -81.84 132.25 35.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 108.292 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -108.84 137.09 47.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.036 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -37.68 -36.72 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.526 ' CG ' HG11 ' A' ' 39' ' ' VAL . 3.1 m120 -125.1 65.55 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.713 ' HG3' HG13 ' A' ' 58' ' ' VAL . 38.9 tp60 -70.36 -60.92 1.99 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.713 HG13 ' HG3' ' A' ' 57' ' ' GLN . 20.8 m -137.3 162.34 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.995 ' HB2' HD11 ' A' ' 74' ' ' LEU . 11.3 tt0 -112.39 125.23 53.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.525 HD21 HD23 ' A' ' 100' ' ' LEU . 2.7 mp -107.39 122.29 46.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.775 HD13 ' HB3' ' A' ' 70' ' ' ALA . 0.3 OUTLIER -123.85 117.36 50.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.791 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -75.0 126.86 31.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -121.25 89.92 47.02 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -0.66 10.26 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.523 1.802 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -60.16 -44.36 95.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 m -139.21 22.55 2.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.0 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.521 ' HD3' ' CZ3' ' A' ' 113' ' ' TRP . 18.7 mmt85 59.82 63.57 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.6 p -141.53 174.37 10.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.391 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.6 t -147.32 136.72 16.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.775 ' HB3' HD13 ' A' ' 61' ' ' ILE . . . -95.47 145.0 25.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.681 HG21 ' CD1' ' A' ' 94' ' ' LEU . 80.7 t -131.5 116.08 30.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -124.37 121.8 35.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.584 ' HA ' HG12 ' A' ' 58' ' ' VAL . 33.9 tt0 -77.0 116.71 17.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.995 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -112.31 -0.05 15.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -95.95 -146.75 21.48 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -119.14 -45.41 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -61.41 137.97 94.71 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 125.18 9.18 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.504 1.791 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -95.11 159.24 15.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.944 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 84' ' ' GLN . 72.1 m -122.4 123.68 41.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.417 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.472 HG13 ' CD1' ' A' ' 94' ' ' LEU . 52.9 t -100.4 88.06 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.88 -92.51 1.81 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.1 p -131.86 19.83 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 0.779 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.52 ' O ' HG23 ' A' ' 80' ' ' THR . 14.0 tt0 -125.03 145.02 50.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -92.78 142.34 27.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 86' ' ' LEU . 11.3 mt -103.43 -172.46 2.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.372 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.482 ' HB2' HD22 ' A' ' 90' ' ' LEU . 2.2 mtpp -143.83 172.08 6.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 113.15 3.73 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.455 1.766 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.12 0.82 59.76 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.482 HD22 ' HB2' ' A' ' 87' ' ' LYS . 5.2 tp -83.34 -178.76 7.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.32 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -158.4 141.82 15.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.982 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.42 -167.85 11.31 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 81.7 p -133.68 153.87 51.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.76 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.681 ' CD1' HG21 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -126.75 126.35 43.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.9 m -90.96 158.19 16.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 110.038 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.6 mt -55.48 103.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 119.34 -24.25 8.22 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.115 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -60.97 151.69 29.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 0.755 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.48 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 46.9 t -101.28 162.22 3.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.525 HD23 HD21 ' A' ' 60' ' ' LEU . 64.1 tp -143.51 84.9 1.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.453 ' CD1' ' O ' ' A' ' 105' ' ' GLY . 98.1 m-85 -60.89 100.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.683 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -36.78 -59.88 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.527 HG22 ' N ' ' A' ' 104' ' ' ASN . 2.8 p -165.1 167.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.155 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.527 ' N ' HG22 ' A' ' 103' ' ' VAL . 0.7 OUTLIER 53.34 26.88 5.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.353 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.453 ' O ' ' CD1' ' A' ' 101' ' ' TYR . . . 54.73 17.46 9.1 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.48 1.113 . . . . 0.0 111.037 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 89.9 mt -112.24 -170.91 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.44 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 15.1 m-85 42.68 62.1 8.6 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.48 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.1 Cg_endo -75.07 128.29 11.31 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.513 1.796 . . . . 0.0 110.953 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.683 ' CD2' HD12 ' A' ' 102' ' ' LEU . 4.2 mm? -108.17 108.94 20.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.246 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 53.5 m -82.64 132.81 35.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 110.405 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.493 HD11 HD22 ' A' ' 17' ' ' LEU . 15.6 tp -86.21 130.23 34.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -134.76 157.27 47.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.521 ' CZ3' ' HD3' ' A' ' 67' ' ' ARG . 3.2 t-105 -123.49 136.07 54.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 108.046 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.953 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 mt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 53.6 p-90 -160.66 164.01 32.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 107.97 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.598 HD11 HD22 ' A' ' 60' ' ' LEU . 6.6 mt -103.41 142.99 33.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.912 0 N-CA-C 111.059 -0.4 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 112.75 3.63 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.539 1.81 . . . . 0.0 111.039 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.64 135.55 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -96.78 108.24 20.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.818 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 2.0 mt -56.0 152.52 20.82 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 118.87 5.41 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.469 1.773 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.3 t -77.0 -27.37 54.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.993 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -49.36 -28.96 5.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.52 -7.79 12.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -53.95 171.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.848 ' HB1' ' CG ' ' A' ' 59' ' ' GLU . . . -114.7 118.19 32.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 38' ' ' LEU . 11.4 tp -91.08 105.11 17.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.633 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.6 t -76.2 122.2 29.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 40' ' ' LEU . 12.7 mt -106.89 157.26 17.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.28 -150.84 21.23 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 0.5 OUTLIER -64.01 136.13 57.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 110.341 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 139.08 -169.82 24.31 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.52 1.138 . . . . 0.0 110.968 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -1.8 11.71 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.15 -61.84 2.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.671 ' OG1' HG23 ' A' ' 48' ' ' VAL . 73.2 p -117.87 10.85 13.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.379 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 66.04 16.77 10.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.336 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.797 HG11 ' SG ' ' A' ' 53' ' ' CYS . 88.3 t -79.26 130.24 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.4 p -131.05 25.41 4.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.38 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.04 145.22 25.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -66.03 -40.46 91.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.0 mmtm -55.71 -19.39 10.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.797 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -89.96 129.81 36.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 108.305 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -108.65 136.49 48.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 110.051 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -38.17 -35.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.344 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.633 ' HA ' HG13 ' A' ' 39' ' ' VAL . 1.6 p30 -123.86 57.56 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.419 ' HG3' HG13 ' A' ' 58' ' ' VAL . 40.4 tp60 -62.2 -44.79 95.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.346 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.419 HG13 ' HG3' ' A' ' 57' ' ' GLN . 7.0 m -149.28 157.56 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.848 ' CG ' ' HB1' ' A' ' 37' ' ' ALA . 31.7 tt0 -111.22 108.0 17.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.598 HD22 HD11 ' A' ' 19' ' ' LEU . 3.6 mp -90.1 136.39 33.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.443 HD11 ' HB2' ' A' ' 37' ' ' ALA . 24.3 mt -135.85 114.98 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.818 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.64 124.99 27.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.71 88.63 39.89 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.97 8.25 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.52 1.8 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -81.36 -23.15 37.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.259 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.733 ' O ' HG23 ' A' ' 68' ' ' THR . 0.6 OUTLIER -146.83 25.33 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.024 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? 42.4 46.25 4.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.733 HG23 ' O ' ' A' ' 66' ' ' SER . 2.4 p -125.2 176.22 6.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.408 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.507 HG23 HD21 ' A' ' 111' ' ' LEU . 86.9 t -151.85 123.49 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.91 145.92 26.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.602 HG21 HD13 ' A' ' 94' ' ' LEU . 38.3 t -133.13 109.69 14.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 6.3 ttmt -109.48 129.43 55.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.408 ' HG2' ' HA ' ' A' ' 88' ' ' PRO . 36.9 tt0 -84.87 115.12 22.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.837 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -116.38 8.01 14.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -101.91 -153.1 25.28 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.544 1.152 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.2 p -114.87 -47.62 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 0.782 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.413 ' O ' ' NE2' ' A' ' 57' ' ' GLN . 1.9 m120 -64.3 137.33 97.09 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 129.08 12.02 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.515 1.797 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.0 m -102.04 159.35 15.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.571 1.169 . . . . 0.0 110.041 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.4 m -117.01 120.05 37.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.888 HG13 HD12 ' A' ' 94' ' ' LEU . 35.9 t -98.03 81.0 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.11 -92.89 1.38 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.1 p -133.96 15.06 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -125.02 136.28 53.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.8 143.18 33.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.484 HD11 HG21 ' A' ' 81' ' ' VAL . 10.5 mt -101.32 -177.12 3.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.475 ' HB2' HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -137.91 169.78 12.1 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.408 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -74.95 110.2 3.07 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.48 1.779 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.6 3.65 56.19 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.475 HD22 ' HB2' ' A' ' 87' ' ' LYS . 5.2 tp -85.95 179.27 7.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 0.761 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.38 133.77 8.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.032 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -134.59 -167.77 11.54 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -133.26 152.05 51.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 109.985 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.888 HD12 HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -124.34 128.45 49.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.328 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 43.9 m -92.68 161.98 14.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.954 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.502 HD21 ' CB ' ' A' ' 113' ' ' TRP . 4.7 mt -57.05 110.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 113.69 -34.04 5.2 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -50.32 150.31 2.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.786 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.559 HG13 ' HB2' ' A' ' 108' ' ' PRO . 91.3 t -99.37 159.52 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.538 HD13 HG22 ' A' ' 81' ' ' VAL . 37.0 tp -140.78 84.57 1.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.439 ' O ' ' C ' ' A' ' 102' ' ' LEU . 96.5 m-85 -61.22 98.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.612 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -37.4 -58.53 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.58 HG22 ' H ' ' A' ' 104' ' ' ASN . 8.2 p -161.9 173.25 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.58 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.5 OUTLIER 42.83 35.7 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.402 ' O ' ' CD1' ' A' ' 101' ' ' TYR . . . 47.53 22.36 1.67 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 40.5 mt -118.09 -171.42 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.74 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.459 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 3.9 m-85 43.22 60.6 10.63 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.559 ' HB2' HG13 ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.02 127.93 11.06 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.504 1.792 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.612 ' CD2' HD12 ' A' ' 102' ' ' LEU . 3.4 mm? -104.64 96.36 6.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 19' ' ' LEU . 29.6 m -68.4 133.43 48.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.454 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.507 HD21 HG23 ' A' ' 69' ' ' VAL . 64.9 tp -89.37 129.07 35.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -130.7 169.66 15.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.307 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.502 ' CB ' HD21 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -138.81 129.93 26.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 108.012 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.419 ' C ' HD13 ' A' ' 19' ' ' LEU . 52.6 p-90 -159.93 160.12 33.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 107.958 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.806 ' CD2' HD21 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -98.82 148.05 24.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 111.004 -0.421 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 113.38 3.78 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.535 1.808 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.9 mp -78.16 132.99 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -98.18 102.45 14.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.856 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 2.1 mt -58.73 159.29 13.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.652 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.3 Cg_endo -75.07 152.68 40.75 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.484 1.781 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.404 ' C ' ' N ' ' A' ' 35' ' ' GLY . 86.0 p -97.65 -35.74 10.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -45.41 -27.43 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 33' ' ' SER . . . 116.79 -3.58 19.44 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -50.42 172.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.76 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.623 ' HB1' ' CG ' ' A' ' 59' ' ' GLU . . . -120.96 122.77 40.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.6 tp -95.77 109.01 21.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.674 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.5 t -71.58 133.71 31.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.684 HD12 HD13 ' A' ' 60' ' ' LEU . 13.4 mt -112.67 167.25 10.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.99 -156.72 27.05 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -54.98 150.66 9.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.736 . . . . 0.0 110.283 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.7 -178.46 16.8 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.538 1.149 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -3.47 13.98 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.82 -61.27 2.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.696 HG21 HD11 ' A' ' 102' ' ' LEU . 66.3 p -109.05 6.3 24.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 63.1 26.52 15.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.892 HG11 ' SG ' ' A' ' 53' ' ' CYS . 40.6 t -92.64 129.16 43.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.3 p -118.04 -9.07 10.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.398 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -51.63 152.34 2.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.5 mtm180 -80.43 -33.58 36.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -61.59 -15.08 35.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.892 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -88.78 125.9 35.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.317 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.83 136.9 44.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.015 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.84 -35.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 110.332 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.674 ' HA ' HG13 ' A' ' 39' ' ' VAL . 1.2 m-20 -125.7 58.57 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.537 ' HG3' HG13 ' A' ' 58' ' ' VAL . 34.4 tp60 -61.86 -50.25 73.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.628 HG12 ' HA ' ' A' ' 73' ' ' GLN . 4.3 m -139.74 171.16 14.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.656 ' HB2' HD11 ' A' ' 74' ' ' LEU . 2.5 tt0 -122.15 109.15 14.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.805 HD11 ' CD2' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -93.06 140.93 28.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 0.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.6 ' O ' HG13 ' A' ' 69' ' ' VAL . 27.0 mt -139.4 121.42 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.856 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -75.81 121.29 22.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.03 86.11 36.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.37 9.0 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.24 -43.51 94.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.49 ' O ' HG23 ' A' ' 68' ' ' THR . 3.0 m -137.3 26.94 2.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.561 ' HD3' ' CZ3' ' A' ' 113' ' ' TRP . 1.1 mmm-85 53.39 56.93 6.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.32 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 66' ' ' SER . 18.7 p -136.86 176.1 9.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.405 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 61' ' ' ILE . 89.9 t -151.32 137.94 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -92.78 146.07 23.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.538 HG21 HD13 ' A' ' 94' ' ' LEU . 41.5 t -132.58 104.07 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -109.44 121.19 44.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.628 ' HA ' HG12 ' A' ' 58' ' ' VAL . 38.7 tt0 -77.73 116.16 18.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.656 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -109.2 -6.76 15.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -87.11 -142.84 7.61 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.558 1.161 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -126.58 -44.3 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 0.786 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -63.81 141.37 97.97 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 124.82 8.92 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.796 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -96.49 159.12 15.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.046 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.8 m -117.3 118.41 32.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.353 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.946 HG13 HD12 ' A' ' 94' ' ' LEU . 6.7 t -99.38 75.56 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 99.16 -95.52 1.56 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.8 p -129.63 19.12 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.753 . . . . 0.0 109.347 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -124.97 142.83 51.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.98 133.02 36.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.265 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.5 mt -95.3 -172.52 2.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -143.83 169.34 10.53 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.431 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -74.93 96.73 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.476 1.777 . . . . 0.0 111.04 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 115.4 4.32 20.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.9 tp -89.68 178.81 6.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 0.774 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.93 133.82 12.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.958 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -135.51 -168.69 11.65 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 69' ' ' VAL . 13.6 m -134.84 152.4 51.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 0.786 . . . . 0.0 109.978 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.946 HD12 HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -121.17 130.86 53.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.94 147.09 24.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.98 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.549 HD11 ' CB ' ' A' ' 113' ' ' TRP . 2.1 mt -43.71 110.25 0.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.142 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 112.97 -36.25 4.18 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.485 1.116 . . . . 0.0 110.957 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -50.82 149.62 3.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 0.747 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.509 HG12 ' N ' ' A' ' 100' ' ' LEU . 94.8 t -97.35 166.69 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.805 ' CD2' HD11 ' A' ' 60' ' ' LEU . 47.8 tp -147.86 84.82 1.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.468 ' CD1' ' O ' ' A' ' 105' ' ' GLY . 99.0 m-85 -61.81 100.29 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.696 HD11 HG21 ' A' ' 46' ' ' THR . 0.0 OUTLIER -36.08 -59.88 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.527 HG22 ' N ' ' A' ' 104' ' ' ASN . 2.8 p -164.88 167.51 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.527 ' N ' HG22 ' A' ' 103' ' ' VAL . 0.7 OUTLIER 52.85 28.2 6.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.468 ' O ' ' CD1' ' A' ' 101' ' ' TYR . . . 53.78 18.42 8.25 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.477 1.111 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 70.1 mt -112.03 -171.57 1.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 0.744 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.495 ' O ' ' CD2' ' A' ' 109' ' ' LEU . 11.6 m-85 43.29 61.49 9.89 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.453 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.2 Cg_endo -75.0 121.3 6.49 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.51 1.794 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 107' ' ' TYR . 3.7 mm? -101.25 118.89 37.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 19' ' ' LEU . 22.5 m -91.86 126.08 36.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.43 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.597 HD21 HG23 ' A' ' 69' ' ' VAL . 52.5 tp -79.72 129.32 34.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -127.53 165.51 19.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.263 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.561 ' CZ3' ' HD3' ' A' ' 67' ' ' ARG . 1.6 t-105 -138.48 132.02 30.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 107.989 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.481 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 4.6 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.97 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.523 HD22 HD11 ' A' ' 111' ' ' LEU . 1.6 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 36.3 p-90 -166.47 172.91 10.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 108.025 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.444 ' HG ' HD21 ' A' ' 31' ' ' LEU . 9.4 mt -118.84 144.36 46.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.351 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 111.003 -0.422 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 103.94 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 110.987 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.4 mp -77.62 128.5 38.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -94.4 112.54 24.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.867 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 0.7 OUTLIER -64.6 162.58 33.98 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.869 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.1 Cg_endo -75.08 148.44 34.97 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.457 1.767 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 m -111.12 -5.41 14.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.003 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -79.46 -10.37 59.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.93 -18.53 16.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -47.11 170.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 0.771 . . . . 0.0 110.313 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.783 ' HB1' ' HG3' ' A' ' 59' ' ' GLU . . . -125.02 128.76 49.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 38' ' ' LEU . 10.6 tp -92.24 99.11 11.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.608 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.6 t -70.8 111.87 5.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.361 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 mp -92.83 174.51 7.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.99 -158.75 27.73 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -56.79 150.57 15.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 0.791 . . . . 0.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 125.19 -176.61 17.14 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.555 1.159 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.4 8.96 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.483 1.781 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.4 mp -59.84 -60.11 4.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.606 ' OG1' HG23 ' A' ' 48' ' ' VAL . 69.2 p -116.33 8.81 14.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.376 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 67.47 17.24 10.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.606 HG23 ' OG1' ' A' ' 46' ' ' THR . 68.9 t -79.45 129.53 37.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.3 p -130.42 18.22 5.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.41 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.24 131.47 35.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -62.05 -30.01 70.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.297 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -60.37 -18.36 49.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.577 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -86.41 171.25 11.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 108.313 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -145.41 136.33 24.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.994 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.1 OUTLIER -38.47 -31.79 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.608 ' HA ' HG13 ' A' ' 39' ' ' VAL . 3.8 p30 -129.28 62.44 1.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.509 ' HG3' HG13 ' A' ' 58' ' ' VAL . 41.1 tp60 -67.43 -44.42 78.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.509 HG13 ' HG3' ' A' ' 57' ' ' GLN . 7.6 m -146.88 157.33 10.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.838 ' HB2' HD11 ' A' ' 74' ' ' LEU . 23.7 tt0 -114.2 101.39 9.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.254 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.507 HD21 ' CD2' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -81.67 144.2 31.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.614 HG12 ' HB2' ' A' ' 37' ' ' ALA . 93.0 mt -140.87 113.88 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.869 ' HB3' ' O ' ' A' ' 32' ' ' PRO . . . -74.65 126.21 30.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -124.79 86.02 56.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 1.19 8.02 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.514 1.797 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -76.15 -25.65 55.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.8 m -144.58 17.72 1.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.97 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 51.33 57.17 6.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.6 p -138.29 176.41 8.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.398 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.497 HG11 HD23 ' A' ' 60' ' ' LEU . 66.9 t -146.7 136.85 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.425 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . . . -101.16 139.32 37.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.465 HG21 ' CD1' ' A' ' 94' ' ' LEU . 48.4 t -128.15 113.38 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -112.3 116.72 30.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.419 ' HG2' ' HA ' ' A' ' 88' ' ' PRO . 35.6 tt0 -71.37 119.1 15.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.838 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -122.43 10.43 9.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -100.75 -146.45 19.2 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.52 1.137 . . . . 0.0 111.04 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.3 p -120.0 -49.22 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -68.58 141.97 93.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 128.83 11.85 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.9 m -97.72 159.17 15.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.019 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.9 m -115.99 117.75 31.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.37 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.813 HG13 ' CD1' ' A' ' 94' ' ' LEU . 40.2 t -98.52 78.28 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 99.46 -94.71 1.42 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 83' ' ' VAL . 9.3 p -132.08 17.94 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -125.1 143.28 51.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.36 133.44 34.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.428 HD11 HG21 ' A' ' 81' ' ' VAL . 11.0 mt -93.0 -172.8 3.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.447 ' HB2' HD22 ' A' ' 90' ' ' LEU . 0.2 OUTLIER -145.22 172.21 5.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.419 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.96 112.24 3.51 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.488 1.783 . . . . 0.0 110.978 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.17 4.15 58.65 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.4 tp -86.78 179.64 6.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.762 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.93 132.76 8.52 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.974 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -132.58 -172.07 12.93 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.495 1.122 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 59.7 p -130.76 153.14 49.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 0.77 . . . . 0.0 110.019 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.813 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -125.03 128.45 48.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.85 151.15 19.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.008 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.493 HD21 ' N ' ' A' ' 113' ' ' TRP . 2.5 mt -46.11 108.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 115.49 -37.34 3.5 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -49.41 151.49 1.52 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 0.782 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.419 ' CG1' ' N ' ' A' ' 100' ' ' LEU . 41.0 t -101.13 160.59 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.346 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.658 HD13 HG22 ' A' ' 81' ' ' VAL . 28.7 tp -140.93 84.44 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.445 ' O ' ' C ' ' A' ' 102' ' ' LEU . 94.3 m-85 -61.71 99.11 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.113 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.565 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -36.74 -58.87 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.554 HG22 ' H ' ' A' ' 104' ' ' ASN . 11.4 p -160.56 172.17 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.554 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.9 OUTLIER 40.04 44.37 1.46 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 39.63 28.56 0.13 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.128 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 106' ' ' LEU . 13.0 mt -122.02 -172.06 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.443 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 3.9 m-85 41.49 61.67 7.66 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.443 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.3 Cg_endo -75.01 134.06 17.34 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.54 1.811 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.565 ' CD2' HD12 ' A' ' 102' ' ' LEU . 4.1 mm? -111.64 95.05 5.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 80.5 m -69.51 128.64 37.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.366 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.583 HD12 ' H ' ' A' ' 112' ' ' ARG . 17.9 tp -75.78 138.63 41.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.583 ' H ' HD12 ' A' ' 111' ' ' LEU . 24.6 mmt180 -141.33 150.43 42.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.493 ' N ' HD21 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -119.49 140.17 50.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 107.975 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.492 HD22 HD11 ' A' ' 111' ' ' LEU . 1.1 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -166.88 153.94 8.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 108.009 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.821 ' CD2' HD21 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -90.71 138.28 31.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.15 . . . . 0.0 110.303 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 119.11 5.51 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.508 1.793 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 mp -94.75 140.23 17.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -105.16 119.23 38.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.876 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 0.3 OUTLIER -70.8 165.49 46.16 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.739 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.3 Cg_endo -74.98 158.9 42.02 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.535 1.808 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 83.1 p -103.46 -35.77 8.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.8 -31.99 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.35 -3.08 8.28 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.68 168.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 0.787 . . . . 0.0 110.261 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.801 ' HB1' ' HG3' ' A' ' 59' ' ' GLU . . . -119.55 122.73 42.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 38' ' ' LEU . 12.9 tp -91.63 100.16 12.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.635 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.7 t -70.75 119.82 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.407 HD12 HD13 ' A' ' 60' ' ' LEU . 16.7 mt -102.37 159.36 15.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 159.95 -157.14 28.41 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.468 ' CZ ' ' HA ' ' A' ' 51' ' ' ARG . 11.7 mtm180 -56.0 138.48 48.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 0.787 . . . . 0.0 110.253 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.81 -174.69 21.49 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -0.25 9.72 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.507 1.793 . . . . 0.0 111.039 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -60.32 -61.48 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.59 HG21 HD11 ' A' ' 102' ' ' LEU . 74.6 p -117.32 11.86 14.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.437 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 64.97 19.94 11.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.323 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.474 HG11 ' SG ' ' A' ' 53' ' ' CYS . 23.0 t -77.85 122.9 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.41 ' O ' ' OG1' ' A' ' 49' ' ' THR . 1.6 t -128.55 28.86 5.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.395 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -99.08 121.73 41.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.468 ' HA ' ' CZ ' ' A' ' 42' ' ' ARG . 18.7 mtt180 -51.35 -29.31 14.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 77' ' ' ASN . 4.4 mmmt -59.04 -17.1 22.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.474 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -95.76 166.6 11.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 108.317 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.28 138.7 35.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 110.005 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.2 mtm-85 -39.29 -34.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.635 ' HA ' HG13 ' A' ' 39' ' ' VAL . 0.8 OUTLIER -123.45 58.92 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.509 ' HG3' HG13 ' A' ' 58' ' ' VAL . 32.6 tp60 -68.35 -50.22 54.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.509 HG13 ' HG3' ' A' ' 57' ' ' GLN . 4.0 m -140.67 162.34 23.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.943 ' HB2' HD11 ' A' ' 74' ' ' LEU . 17.8 tt0 -121.47 116.39 24.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.571 HD11 HD21 ' A' ' 100' ' ' LEU . 1.4 mp -99.68 141.16 32.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.551 HG12 ' HB2' ' A' ' 37' ' ' ALA . 88.4 mt -135.02 118.88 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.876 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.69 115.35 14.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -116.94 87.12 21.18 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.65 10.23 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -71.82 -35.78 70.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 110.335 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.677 ' O ' HG23 ' A' ' 68' ' ' THR . 6.1 m -136.07 26.67 3.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.037 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.665 ' CD ' ' CZ3' ' A' ' 113' ' ' TRP . 24.3 mmt85 44.83 46.86 8.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.677 HG23 ' O ' ' A' ' 66' ' ' SER . 2.9 p -129.47 177.48 7.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.434 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.437 HG13 ' O ' ' A' ' 61' ' ' ILE . 62.0 t -147.67 129.04 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -87.95 139.12 30.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.585 HG21 ' CD1' ' A' ' 94' ' ' LEU . 66.0 t -122.77 134.95 64.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 2.2 ttpt -140.44 123.5 16.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -82.67 107.74 15.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 110.276 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.943 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -100.2 -1.73 35.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.18 -146.32 19.31 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -120.6 -52.55 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 1.9 m120 -57.6 137.56 82.22 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 129.06 12.03 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.498 1.788 . . . . 0.0 111.03 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.6 m -101.34 159.41 15.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 86.1 m -115.56 117.9 31.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.385 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.844 HG13 HD12 ' A' ' 94' ' ' LEU . 24.4 t -99.24 89.15 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.96 -96.47 2.22 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.412 ' O ' HG22 ' A' ' 83' ' ' VAL . 10.3 p -130.41 17.28 2.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 0.773 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -125.2 140.83 52.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -88.67 142.32 27.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.9 mt -104.39 -172.28 2.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -143.68 170.22 8.92 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 97.5 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.52 1.8 . . . . 0.0 111.043 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 114.93 1.94 22.38 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.1 tp -86.83 -177.98 6.22 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 0.738 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -158.28 132.4 7.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.998 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -129.15 -168.12 12.29 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.459 1.1 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.81 144.16 45.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 109.958 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.844 HD12 HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -116.66 135.37 53.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.0 m -104.43 161.13 14.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.587 HD21 ' C ' ' A' ' 112' ' ' ARG . 3.9 mt -54.91 107.58 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 114.08 -32.95 5.69 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -53.23 148.33 8.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.491 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 47.5 t -97.21 164.06 2.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.745 HD13 HG22 ' A' ' 81' ' ' VAL . 34.7 tp -143.47 84.36 1.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.418 ' O ' ' C ' ' A' ' 102' ' ' LEU . 95.8 m-85 -60.32 100.16 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.59 HD11 HG21 ' A' ' 46' ' ' THR . 0.0 OUTLIER -38.19 -57.75 1.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.552 HG22 ' H ' ' A' ' 104' ' ' ASN . 11.8 p -162.57 172.21 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.552 ' H ' HG22 ' A' ' 103' ' ' VAL . 1.2 m120 40.24 45.76 1.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 37.47 30.12 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 104' ' ' ASN . 12.0 mt -123.57 -171.62 2.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.467 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 4.2 m-85 41.37 60.45 8.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.491 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.4 Cg_endo -75.01 140.03 24.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.517 1.799 . . . . 0.0 111.043 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.535 ' CD2' HD12 ' A' ' 102' ' ' LEU . 4.0 mm? -117.81 115.64 25.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 97.6 m -82.48 129.99 35.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.367 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.492 HD11 HD22 ' A' ' 17' ' ' LEU . 21.2 tp -87.39 130.15 34.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.587 ' C ' HD21 ' A' ' 96' ' ' LEU . 20.3 mmt180 -131.93 178.88 6.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.665 ' CZ3' ' CD ' ' A' ' 67' ' ' ARG . 7.0 t-105 -135.18 144.94 47.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.155 . . . . 0.0 108.024 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.5 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 14.7 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.586 HD22 HD11 ' A' ' 111' ' ' LEU . 16.5 mt . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.547 ' HE1' ' N ' ' A' ' 114' ' ' SER . 64.1 p-90 -166.96 163.27 16.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 107.99 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.1 mt -109.23 136.02 49.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.858 0 N-CA-C 110.966 -0.436 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 110.95 3.21 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 mp -83.58 144.9 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -105.3 119.69 39.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.846 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 2.0 mt -69.89 153.89 95.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 124.65 8.76 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.401 ' C ' ' N ' ' A' ' 35' ' ' GLY . 2.2 m -78.4 -30.31 47.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.945 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -45.94 -26.47 0.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 33' ' ' SER . . . 117.14 -7.46 16.63 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -54.18 175.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.745 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.742 ' HB1' ' CG ' ' A' ' 59' ' ' GLU . . . -122.9 125.85 46.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 38' ' ' LEU . 9.9 tp -94.96 104.16 16.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.705 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.9 t -71.11 123.3 24.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.466 HD12 HD13 ' A' ' 60' ' ' LEU . 13.6 mt -102.62 170.99 7.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.96 -157.25 27.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.447 1.092 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 -58.64 139.03 56.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 0.738 . . . . 0.0 110.275 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.22 -175.11 21.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.36 8.99 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.494 1.786 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.4 mp -60.4 -61.63 2.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.605 HG21 HD11 ' A' ' 102' ' ' LEU . 47.4 p -114.97 8.12 15.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.392 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 65.74 23.6 11.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.292 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.518 HG11 ' SG ' ' A' ' 53' ' ' CYS . 47.6 t -84.05 129.13 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.2 p -127.2 33.22 4.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.406 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -93.05 128.02 38.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.357 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -59.14 -33.68 71.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.347 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -62.42 -21.02 65.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.518 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -80.87 143.65 32.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 108.334 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -117.06 132.23 56.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 110.045 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.5 OUTLIER -37.48 -36.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.705 ' HA ' HG13 ' A' ' 39' ' ' VAL . 1.7 m120 -121.57 57.28 1.03 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.409 ' HG3' HG13 ' A' ' 58' ' ' VAL . 35.0 tp60 -60.5 -53.56 56.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.263 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.577 HG12 ' HA ' ' A' ' 73' ' ' GLN . 2.7 m -140.14 162.31 24.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.972 ' HB2' HD11 ' A' ' 74' ' ' LEU . 3.4 tt0 -114.22 108.09 16.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.487 HD11 HD21 ' A' ' 100' ' ' LEU . 1.8 mp -88.65 142.26 27.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.618 HG12 ' HB2' ' A' ' 37' ' ' ALA . 88.2 mt -140.07 118.88 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.846 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -75.04 128.49 35.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -121.85 87.73 46.87 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.96 8.24 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.431 1.753 . . . . 0.0 111.054 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 65' ' ' GLU . 2.7 tp10 -78.06 -30.29 49.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.62 ' O ' HG23 ' A' ' 68' ' ' THR . 0.4 OUTLIER -145.65 26.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 110.012 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.68 ' HB3' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER 46.98 38.31 6.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.62 HG23 ' O ' ' A' ' 66' ' ' SER . 2.2 p -115.65 174.9 5.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.421 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.618 HG13 ' O ' ' A' ' 61' ' ' ILE . 99.2 t -151.51 140.31 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -102.1 139.99 36.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.557 HG11 HD11 ' A' ' 100' ' ' LEU . 70.1 t -124.76 111.47 28.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 3.2 tttt -112.27 120.08 40.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.577 ' HA ' HG12 ' A' ' 58' ' ' VAL . 38.0 tt0 -78.62 118.95 21.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.972 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -118.1 3.37 12.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.24 -141.1 9.93 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.533 1.145 . . . . 0.0 111.012 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -123.31 -52.59 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -64.75 139.41 97.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.452 ' HA ' ' OE1' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.95 129.34 12.3 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 86' ' ' LEU . 6.4 m -95.48 159.21 15.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 27.5 m -117.36 113.72 22.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 110.433 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.759 HG13 HD12 ' A' ' 94' ' ' LEU . 24.3 t -94.62 81.14 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 98.52 -94.74 1.51 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.559 1.162 . . . . 0.0 110.961 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.1 p -133.34 16.28 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 109.282 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -125.18 137.62 54.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.237 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.56 147.26 28.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 79' ' ' SER . 12.5 mt -106.37 -172.91 2.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.51 ' HB2' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -142.13 171.21 7.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 112.57 3.59 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.797 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.01 0.99 59.83 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.51 HD22 ' HB2' ' A' ' 87' ' ' LYS . 4.9 tp -82.58 -179.14 7.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 0.749 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.38 134.39 8.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 110.012 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.72 -167.8 11.96 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.446 1.091 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.8 p -133.35 148.48 51.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 0.745 . . . . 0.0 109.973 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.759 HD12 HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -122.87 129.86 52.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.2 m -97.49 154.49 17.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.68 HD12 ' HB3' ' A' ' 67' ' ' ARG . 4.9 mt -52.56 100.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 125.28 -26.82 5.44 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.569 1.168 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -60.96 150.57 32.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 109.332 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 100' ' ' LEU . 94.1 t -96.36 166.26 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.649 HD13 HG22 ' A' ' 81' ' ' VAL . 44.5 tp -144.86 86.82 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 102' ' ' LEU . 91.3 m-85 -63.77 100.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.684 HD12 ' CD1' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -35.65 -58.42 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.543 HG22 ' H ' ' A' ' 104' ' ' ASN . 12.3 p -166.13 171.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.543 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.5 OUTLIER 41.9 43.02 2.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 40.71 26.38 0.14 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.528 1.142 . . . . 0.0 110.964 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 104' ' ' ASN . 28.4 mt -121.88 -170.99 2.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.46 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 7.1 m-85 38.4 60.77 4.9 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.46 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.2 Cg_endo -74.98 172.34 16.54 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.496 1.787 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.684 ' CD1' HD12 ' A' ' 102' ' ' LEU . 1.3 mp -153.62 133.93 13.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 99.2 m -96.54 130.59 43.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.586 HD11 HD22 ' A' ' 17' ' ' LEU . 20.1 tp -87.29 121.28 29.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -129.06 164.42 23.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.492 ' HB3' HD11 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -135.46 133.79 38.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 108.027 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.547 ' N ' ' HE1' ' A' ' 18' ' ' TRP . 7.9 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.961 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.598 HD22 HD11 ' A' ' 111' ' ' LEU . 9.2 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.456 ' HE1' ' N ' ' A' ' 114' ' ' SER . 40.7 p-90 -166.82 159.84 14.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 108.033 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.517 ' HG ' HD21 ' A' ' 31' ' ' LEU . 12.1 mt -106.88 126.81 52.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 112.92 3.67 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.465 1.771 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 mp -85.83 143.69 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -106.55 106.06 16.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.894 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 1.1 mt -55.72 161.48 3.24 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.749 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.2 Cg_endo -74.99 156.68 43.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.463 1.77 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.414 ' C ' ' N ' ' A' ' 35' ' ' GLY . 89.2 p -104.92 -34.59 7.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.029 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -43.61 -28.5 0.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 33' ' ' SER . . . 120.16 -1.99 12.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -55.71 175.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.675 ' HB1' ' CG ' ' A' ' 59' ' ' GLU . . . -124.86 125.82 44.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 38' ' ' LEU . 8.9 tp -94.27 104.71 16.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.681 HG23 ' OE1' ' A' ' 59' ' ' GLU . 2.0 t -73.51 122.57 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.511 HD12 HD13 ' A' ' 60' ' ' LEU . 14.2 mt -103.65 170.41 7.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.457 ' HA2' HD21 ' A' ' 102' ' ' LEU . . . 148.68 -143.62 11.21 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -71.37 139.63 49.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 110.272 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.63 -175.89 20.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.32 9.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 111.061 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mp -60.98 -60.32 3.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.527 HG21 HD11 ' A' ' 102' ' ' LEU . 52.0 p -116.33 10.39 14.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.411 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 65.6 21.88 11.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.7 t -86.56 126.94 40.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.117 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.8 p -126.71 17.07 7.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.422 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -75.17 134.59 41.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.0 mtp-105 -64.24 -40.71 96.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.23 -31.21 31.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.513 ' SG ' HD23 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -71.51 175.5 5.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 108.291 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 57' ' ' GLN . 0.2 OUTLIER -153.13 132.95 13.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -38.66 -34.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.584 ' HA ' HG13 ' A' ' 39' ' ' VAL . 4.3 m-80 -118.97 54.19 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.351 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.502 ' HG3' HG13 ' A' ' 58' ' ' VAL . 42.7 tp60 -64.39 -51.79 61.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.626 HG12 ' HA ' ' A' ' 73' ' ' GLN . 5.1 m -141.51 169.08 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.874 ' HB2' HD11 ' A' ' 74' ' ' LEU . 2.0 tt0 -122.57 110.56 15.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.52 HD11 HD21 ' A' ' 100' ' ' LEU . 0.6 OUTLIER -93.06 143.18 26.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.577 HG12 ' HB2' ' A' ' 37' ' ' ALA . 96.5 mt -140.23 119.03 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.894 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.42 122.57 23.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -119.3 88.38 37.66 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.02 8.2 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.788 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -69.16 -39.46 78.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.7 m -141.33 26.31 1.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.029 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.643 ' HB3' HD12 ' A' ' 96' ' ' LEU . 1.8 mpp_? 52.22 46.59 26.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.475 ' C ' HG23 ' A' ' 69' ' ' VAL . 1.5 p -120.73 176.02 5.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.417 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.475 HG23 ' C ' ' A' ' 68' ' ' THR . 87.2 t -156.14 126.43 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.71 144.78 25.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.595 HG11 HD11 ' A' ' 100' ' ' LEU . 94.8 t -130.32 111.17 20.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 9.0 ttmm -110.94 121.44 45.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.626 ' HA ' HG12 ' A' ' 58' ' ' VAL . 30.4 tt0 -76.84 121.27 23.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.874 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -118.14 -1.96 11.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -87.72 -137.7 5.57 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -126.21 -53.58 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.465 ' CB ' HG23 ' A' ' 103' ' ' VAL . 68.6 m-80 -63.74 139.28 97.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.36 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.44 ' HA ' ' OE1' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.95 124.97 9.05 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.491 1.785 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.62 159.17 18.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.965 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 88.9 m -116.46 107.27 14.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.382 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.772 HG13 ' CD1' ' A' ' 94' ' ' LEU . 46.0 t -90.92 85.38 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.69 -96.32 2.07 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.452 1.095 . . . . 0.0 110.97 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.1 p -132.91 18.6 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.442 0.73 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -125.06 138.77 54.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -85.32 136.17 33.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.256 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.42 HD11 HG21 ' A' ' 81' ' ' VAL . 11.4 mt -95.17 -172.31 2.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.456 ' HB2' HD22 ' A' ' 90' ' ' LEU . 1.1 mtpt -145.18 172.62 5.13 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 113.95 3.91 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.513 1.796 . . . . 0.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.65 3.65 62.49 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.456 HD22 ' HB2' ' A' ' 87' ' ' LYS . 5.5 tp -85.19 178.67 7.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.75 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.89 133.07 6.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -132.82 -168.82 12.07 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.7 p -128.15 150.37 50.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 0.737 . . . . 0.0 110.014 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.772 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -124.29 119.48 29.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.0 m -86.98 152.2 22.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.944 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.643 HD12 ' HB3' ' A' ' 67' ' ' ARG . 3.9 mt -50.53 103.55 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 123.69 -32.36 4.28 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.4 154.41 4.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 0.726 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.482 HG12 ' N ' ' A' ' 100' ' ' LEU . 67.5 t -100.89 164.37 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.595 HD11 HG11 ' A' ' 71' ' ' VAL . 60.7 tp -143.3 86.94 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 102' ' ' LEU . 87.7 m-85 -64.7 99.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.643 HD12 ' CD1' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -35.65 -58.14 0.62 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.556 HG22 ' H ' ' A' ' 104' ' ' ASN . 11.9 p -166.11 172.39 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.556 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.9 OUTLIER 40.11 46.09 1.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 37.84 28.87 0.04 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 104' ' ' ASN . 12.1 mt -123.78 -171.03 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.464 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 7.8 m-85 37.9 60.5 4.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.464 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.3 Cg_endo -74.96 174.05 13.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.541 1.811 . . . . 0.0 111.039 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.643 ' CD1' HD12 ' A' ' 102' ' ' LEU . 1.6 mp -153.76 135.5 14.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.3 m -98.78 126.35 44.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.393 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.598 HD11 HD22 ' A' ' 17' ' ' LEU . 26.6 tp -81.8 114.5 20.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -118.27 164.98 14.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.332 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.527 ' C ' ' CD1' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -137.17 135.49 37.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 108.034 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.456 ' N ' ' HE1' ' A' ' 18' ' ' TRP . 5.3 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.439 HD22 HD11 ' A' ' 111' ' ' LEU . 6.9 mt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.462 ' C ' HD13 ' A' ' 19' ' ' LEU . 62.1 p-90 -165.2 150.57 9.42 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.561 ' N ' HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -93.16 148.63 21.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.268 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 110.948 -0.443 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 111.9 3.44 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.549 1.815 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.513 HD11 ' O ' ' A' ' 45' ' ' LEU . 3.1 mp -79.93 112.38 17.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -86.56 108.84 18.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.949 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 1.6 mt -62.37 162.06 21.8 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.758 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.4 Cg_endo -75.02 148.61 35.45 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.491 1.785 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -98.79 -21.56 16.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -56.11 -32.71 64.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.37 -8.07 5.94 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -48.45 176.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.807 ' HB1' ' HG3' ' A' ' 59' ' ' GLU . . . -129.39 120.18 25.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.9 tp -91.78 104.65 17.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.623 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.8 t -75.21 121.92 27.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -96.36 175.41 6.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.44 -151.06 23.17 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.475 1.109 . . . . 0.0 111.038 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -68.36 134.99 51.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 110.296 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.32 -173.83 28.19 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.453 1.096 . . . . 0.0 111.038 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -10.01 20.94 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.453 1.765 . . . . 0.0 110.954 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.513 ' O ' HD11 ' A' ' 29' ' ' ILE . 6.2 mp -54.16 -60.86 2.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.601 HG21 HD11 ' A' ' 102' ' ' LEU . 30.7 p -110.75 4.15 19.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 65.31 19.58 11.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 110.34 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.57 HG11 ' SG ' ' A' ' 53' ' ' CYS . 43.3 t -81.15 133.84 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 40.0 p -131.03 24.72 4.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.375 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 51' ' ' ARG . 27.2 t0 -82.38 134.78 35.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ARG . . . . . 0.42 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 60.9 mtt180 -60.39 -46.06 91.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -50.26 -31.1 13.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.356 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.57 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -70.61 135.79 48.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 108.327 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -112.29 133.09 54.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 110.015 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 54' ' ' SER . 9.5 mtt180 -37.6 -36.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.623 ' HA ' HG13 ' A' ' 39' ' ' VAL . 2.0 m120 -123.22 60.74 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -65.81 -46.89 76.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 110.337 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.435 HG12 ' HA ' ' A' ' 73' ' ' GLN . 4.6 m -146.56 158.44 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.905 ' HB2' HD11 ' A' ' 74' ' ' LEU . 10.5 tt0 -111.79 106.42 15.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 110.255 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mp -86.09 141.32 29.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.54 HG12 ' HB2' ' A' ' 37' ' ' ALA . 86.5 mt -137.84 119.29 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.949 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.02 130.74 40.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -129.81 85.02 59.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 0.79 8.49 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.467 1.772 . . . . 0.0 111.039 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -65.91 -32.59 74.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.273 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.46 ' O ' HG23 ' A' ' 68' ' ' THR . 58.2 m -152.16 35.38 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.4 mpp_? 45.02 67.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.334 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 66' ' ' SER . 1.5 p -144.61 177.27 8.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.392 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.445 HG23 ' C ' ' A' ' 68' ' ' THR . 89.2 t -154.1 138.5 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -100.26 143.44 30.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.521 HG21 ' CD1' ' A' ' 94' ' ' LEU . 94.1 t -128.59 123.17 59.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 4.7 ttpt -122.55 120.18 33.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.435 ' HA ' HG12 ' A' ' 58' ' ' VAL . 36.7 tt0 -76.35 116.95 17.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.905 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -118.37 8.23 12.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -99.06 -145.71 19.04 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.55 1.156 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -118.98 -50.44 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.432 ' HB3' HG23 ' A' ' 103' ' ' VAL . 57.8 m-80 -66.19 138.93 96.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 127.52 10.73 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.793 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.2 m -92.25 159.3 15.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.985 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 56.2 m -120.23 114.33 21.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.364 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.745 HG22 HD13 ' A' ' 100' ' ' LEU . 54.3 t -97.7 92.44 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.68 -94.22 1.97 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.428 ' O ' HG22 ' A' ' 83' ' ' VAL . 10.6 p -135.6 21.18 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 0.777 . . . . 0.0 109.247 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -125.21 143.7 50.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.79 135.3 34.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 86' ' ' LEU . 11.0 mt -95.6 -172.17 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.474 ' HB2' HD22 ' A' ' 90' ' ' LEU . 3.2 mttt -146.54 172.34 5.35 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 112.43 3.56 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.483 1.78 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.63 2.26 58.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.474 HD22 ' HB2' ' A' ' 87' ' ' LYS . 5.3 tp -84.61 -179.39 7.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.87 133.57 7.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -133.12 -171.08 12.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.2 m -128.55 154.07 46.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 109.975 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.701 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -128.78 122.35 30.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.2 m -93.83 172.85 7.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.049 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.691 HD11 ' HB3' ' A' ' 113' ' ' TRP . 3.5 mt -63.82 115.85 5.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 108.5 -38.12 3.48 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -44.03 161.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 109.319 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.471 HG12 ' N ' ' A' ' 100' ' ' LEU . 79.4 t -112.14 163.57 8.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.745 HD13 HG22 ' A' ' 81' ' ' VAL . 60.8 tp -144.93 89.4 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.479 ' O ' ' C ' ' A' ' 102' ' ' LEU . 95.1 m-85 -66.8 99.73 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.716 HD12 HD11 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -34.6 -60.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.544 HG22 ' H ' ' A' ' 104' ' ' ASN . 12.3 p -162.97 172.13 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.544 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.5 OUTLIER 41.24 40.61 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 42.83 24.52 0.26 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.477 1.111 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.425 ' N ' ' C ' ' A' ' 104' ' ' ASN . 26.0 mt -118.75 -170.18 1.86 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 0.766 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.51 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 9.2 m-85 38.11 58.26 4.92 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.51 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.1 Cg_endo -75.0 177.12 9.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.514 1.797 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.716 HD11 HD12 ' A' ' 102' ' ' LEU . 4.7 mp -151.97 162.94 40.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 46.4 m -121.92 119.09 30.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.432 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.446 ' O ' HD23 ' A' ' 96' ' ' LEU . 21.3 tp -73.37 116.77 14.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.123 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -117.85 169.46 9.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.691 ' HB3' HD11 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -144.91 127.69 16.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 108.057 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.485 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 28.6 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.026 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.663 HD22 HD11 ' A' ' 111' ' ' LEU . 4.2 mt . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.437 ' CB ' ' O ' ' A' ' 29' ' ' ILE . 38.0 p-90 -165.78 164.26 18.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 107.976 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.836 ' CD2' HD21 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -98.95 145.32 27.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.326 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.863 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 116.71 4.67 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 110.962 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.465 HD11 ' O ' ' A' ' 45' ' ' LEU . 2.5 mp -81.27 135.67 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -99.6 102.3 13.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.868 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 1.5 mt -60.95 160.29 21.74 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.648 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.3 Cg_endo -75.04 163.86 34.41 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.513 1.797 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.432 ' C ' ' N ' ' A' ' 35' ' ' GLY . 4.2 p -110.4 -36.69 5.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.982 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -41.54 -29.7 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.432 ' N ' ' C ' ' A' ' 33' ' ' SER . . . 118.95 5.31 11.96 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.452 ' O ' HG23 ' A' ' 61' ' ' ILE . 32.0 mt-30 -62.13 164.84 6.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 0.744 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.735 ' HB1' ' HG2' ' A' ' 59' ' ' GLU . . . -110.06 118.0 35.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.5 HD23 HD22 ' A' ' 31' ' ' LEU . 16.9 tp -91.26 104.81 17.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.445 HG13 ' HA ' ' A' ' 56' ' ' ASN . 0.9 OUTLIER -71.83 147.5 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.641 HD12 HD13 ' A' ' 60' ' ' LEU . 14.6 mt -127.91 173.82 9.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.465 ' HA2' ' CD2' ' A' ' 102' ' ' LEU . . . 148.48 -150.1 22.22 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -63.07 137.75 58.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 0.728 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 142.87 -175.97 22.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -13.5 21.23 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.502 1.79 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.465 ' O ' HD11 ' A' ' 29' ' ' ILE . 2.7 mt -52.86 -57.35 10.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.817 HG21 HD11 ' A' ' 102' ' ' LEU . 81.3 p -112.66 9.71 19.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.368 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 57.61 26.11 12.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.579 HG11 ' SG ' ' A' ' 53' ' ' CYS . 69.8 t -91.42 131.15 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.0 p -128.03 24.07 6.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.438 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.05 127.91 35.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.3 mmm-85 -52.18 -45.45 65.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -50.94 -23.18 2.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.579 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -88.06 109.32 19.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 108.31 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.05 139.48 30.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 55' ' ' ARG . 27.9 mtm105 -37.97 -33.72 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.122 . . . . 0.0 110.317 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.445 ' HA ' HG13 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -124.65 57.44 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -64.76 -41.45 95.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -144.93 175.58 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 0.0 109.246 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.861 ' HB2' HD11 ' A' ' 74' ' ' LEU . 25.8 tt0 -132.02 111.04 11.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.804 HD21 HD23 ' A' ' 100' ' ' LEU . 4.1 mp -95.87 137.09 35.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.728 ' O ' HG13 ' A' ' 69' ' ' VAL . 2.3 mp -134.21 121.7 38.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.868 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.75 121.82 22.33 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -121.47 86.46 44.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 0.49 8.84 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.489 1.784 . . . . 0.0 110.959 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.73 -40.95 98.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.258 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 m -142.77 36.81 1.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.995 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.639 ' HB3' HD12 ' A' ' 96' ' ' LEU . 7.7 mtp180 45.36 62.81 2.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.55 176.72 9.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.366 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.728 HG13 ' O ' ' A' ' 61' ' ' ILE . 97.4 t -150.18 137.68 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -93.13 144.96 24.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.716 HG21 HD13 ' A' ' 94' ' ' LEU . 23.1 t -132.41 116.55 28.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -117.69 126.82 53.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.42 ' HG2' ' HA ' ' A' ' 88' ' ' PRO . 32.1 tt0 -80.94 114.53 19.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.861 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -116.29 -4.14 11.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.96 -140.04 6.06 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.552 1.157 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.3 p -127.67 -52.99 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.509 ' HB3' HG23 ' A' ' 103' ' ' VAL . 4.7 m-80 -60.13 143.74 88.06 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 122.46 7.23 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.798 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.1 m -89.92 158.99 17.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.943 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 88.4 m -122.63 114.55 20.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.4 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.771 HG13 ' CD1' ' A' ' 94' ' ' LEU . 40.0 t -96.1 87.89 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.09 -93.66 1.92 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.432 ' O ' HG22 ' A' ' 83' ' ' VAL . 10.9 p -134.02 19.54 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 0.766 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.417 ' HG2' ' N ' ' A' ' 85' ' ' GLU . 0.6 OUTLIER -124.9 136.41 53.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.417 ' N ' ' HG2' ' A' ' 84' ' ' GLN . 0.2 OUTLIER -83.82 141.68 31.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.31 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.1 mt -101.66 -172.25 2.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.541 ' HB2' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -148.05 172.85 4.72 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.42 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -75.06 114.55 4.05 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.531 1.806 . . . . 0.0 111.034 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.68 3.68 62.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.541 HD22 ' HB2' ' A' ' 87' ' ' LYS . 5.2 tp -85.01 -178.69 6.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 0.775 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.79 133.4 7.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.174 . . . . 0.0 109.981 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -133.21 -172.68 13.04 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 24.4 p -132.62 146.08 51.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.764 . . . . 0.0 110.044 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.771 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -116.18 130.35 56.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.4 m -94.26 161.62 14.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.127 . . . . 0.0 109.997 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.639 HD12 ' HB3' ' A' ' 67' ' ' ARG . 3.6 mt -59.59 107.93 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 112.83 -23.23 15.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -61.2 157.29 16.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.506 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 80.7 t -105.8 162.01 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.804 HD23 HD21 ' A' ' 60' ' ' LEU . 24.9 tp -144.7 85.73 1.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 102' ' ' LEU . 99.7 m-85 -62.1 99.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.817 HD11 HG21 ' A' ' 46' ' ' THR . 0.0 OUTLIER -37.99 -59.0 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.567 HG22 ' H ' ' A' ' 104' ' ' ASN . 12.9 p -159.58 172.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.078 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.567 ' H ' HG22 ' A' ' 103' ' ' VAL . 1.4 m120 39.7 45.6 1.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 104' ' ' ASN . . . 37.05 30.23 0.04 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 104' ' ' ASN . 11.7 mt -122.26 -172.02 2.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.315 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.472 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 5.8 m-85 42.05 60.21 9.36 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.506 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.2 Cg_endo -75.0 134.17 17.47 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.545 1.813 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.694 ' CD2' HD12 ' A' ' 102' ' ' LEU . 4.1 mm? -110.56 113.25 25.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 13.4 m -85.45 121.02 27.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.408 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.663 HD11 HD22 ' A' ' 17' ' ' LEU . 18.7 tp -76.24 124.36 27.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -122.83 162.2 22.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.544 ' CB ' HD11 ' A' ' 96' ' ' LEU . 0.7 OUTLIER -132.28 128.82 38.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 107.986 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.957 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.815 HD22 HD11 ' A' ' 111' ' ' LEU . 5.4 mt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 48.7 p-90 -166.85 155.57 10.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 108.0 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.699 ' CD2' HD21 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -92.98 149.04 21.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.331 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.922 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 110.97 3.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.447 1.762 . . . . 0.0 110.973 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 mp -78.68 118.47 26.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -84.08 105.37 14.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.89 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 3.7 mt -60.67 157.44 37.96 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.528 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.1 Cg_endo -75.07 134.87 18.22 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.515 1.798 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 61.3 p -84.78 -30.47 24.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 110.008 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.28 -32.98 11.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.47 -7.93 7.9 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 0.0 111.047 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -46.73 170.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.896 ' HB1' ' CG ' ' A' ' 59' ' ' GLU . . . -118.55 121.32 39.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 38' ' ' LEU . 8.2 tp -91.04 101.38 14.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.672 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.6 t -70.81 115.2 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.517 HD22 HD13 ' A' ' 60' ' ' LEU . 1.1 mp -93.11 174.05 7.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 137.96 -162.38 25.59 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.472 1.107 . . . . 0.0 110.965 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -48.71 147.77 2.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 0.793 . . . . 0.0 110.333 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 129.82 178.89 15.65 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.459 1.099 . . . . 0.0 111.035 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -1.56 11.39 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.52 1.8 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.1 mp -60.27 -61.13 2.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.527 HG21 HD11 ' A' ' 102' ' ' LEU . 54.8 p -112.11 4.22 17.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.41 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 65.55 25.87 11.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.805 HG11 ' SG ' ' A' ' 53' ' ' CYS . 24.9 t -85.63 130.73 35.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 50' ' ' ASP . 44.1 p -116.82 -30.17 5.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' THR . 51.5 t0 -39.58 124.46 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.564 1.165 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -59.77 -29.06 67.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -59.54 -16.48 25.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.805 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -90.24 121.99 32.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 108.302 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -97.81 136.88 37.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.956 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.69 -32.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.672 ' HA ' HG13 ' A' ' 39' ' ' VAL . 1.2 p30 -123.68 54.85 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.554 ' O ' HG13 ' A' ' 58' ' ' VAL . 46.4 tp60 -65.5 -34.51 78.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.554 HG13 ' O ' ' A' ' 57' ' ' GLN . 3.6 m -155.64 158.09 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.917 ' HB2' HD11 ' A' ' 74' ' ' LEU . 18.0 tt0 -116.71 104.0 10.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.517 HD13 HD22 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -87.08 139.14 30.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.45 HD11 ' HB2' ' A' ' 37' ' ' ALA . 38.9 mt -136.63 119.44 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.89 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.51 125.1 27.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.97 87.98 44.1 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 0.68 8.61 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.577 1.83 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.33 -46.52 79.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.355 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.1 m -138.21 30.1 2.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.023 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.619 ' HB3' HD12 ' A' ' 96' ' ' LEU . 1.7 mpt_? 52.59 50.24 18.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.7 p -124.79 177.02 6.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.394 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.489 ' CG2' HD22 ' A' ' 111' ' ' LEU . 84.9 t -150.76 141.37 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -104.48 138.05 41.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.513 HG21 HD13 ' A' ' 94' ' ' LEU . 48.9 t -131.52 128.19 60.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -129.22 122.99 30.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.442 ' OE1' ' HA ' ' A' ' 78' ' ' PRO . 32.2 tt0 -72.75 119.98 17.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.917 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -121.09 9.74 10.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -104.22 -150.33 20.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.096 . . . . 0.0 111.013 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 77' ' ' ASN . 13.5 p -112.49 -51.64 5.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.529 0.782 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.51 ' N ' HG13 ' A' ' 76' ' ' VAL . 33.2 m-80 -65.07 141.2 98.27 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.442 ' HA ' ' OE1' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -75.0 133.12 16.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.788 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.9 m -97.53 159.51 14.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.6 m -121.09 109.56 15.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.38 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.861 HG22 HD13 ' A' ' 100' ' ' LEU . 11.1 t -92.9 80.5 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 100.04 -96.6 1.64 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.4 p -133.75 19.47 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 0.769 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -125.1 140.09 53.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -84.58 142.41 29.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 86' ' ' LEU . 12.7 mt -102.85 -176.62 3.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 73' ' ' GLN . 7.9 mttt -141.19 172.13 6.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 110.28 3.09 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.32 2.48 56.72 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.521 1.138 . . . . 0.0 110.959 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 90' ' ' LEU . 6.2 tp -87.06 167.25 14.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.792 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.13 138.7 28.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -135.44 -169.27 11.81 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 69' ' ' VAL . 36.5 m -134.75 153.75 51.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 0.0 109.965 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.813 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -126.02 130.74 51.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.0 m -95.67 165.29 12.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.619 HD12 ' HB3' ' A' ' 67' ' ' ARG . 4.0 mt -61.19 105.16 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 116.67 -24.84 9.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.499 1.125 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.76 152.42 22.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 0.752 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.494 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 97.6 t -101.33 162.91 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.861 HD13 HG22 ' A' ' 81' ' ' VAL . 39.7 tp -144.95 84.49 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.409 ' O ' ' C ' ' A' ' 102' ' ' LEU . 99.3 m-85 -60.66 100.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.625 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -38.19 -58.73 0.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.594 HG22 ' H ' ' A' ' 104' ' ' ASN . 7.4 p -162.59 173.88 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.594 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.5 OUTLIER 42.94 36.59 0.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 46.26 23.43 1.21 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 30.8 mt -119.82 -171.55 2.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.475 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 2.5 m-85 43.47 59.83 11.56 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.494 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.2 Cg_endo -75.05 133.97 17.17 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 0.0 110.957 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.625 ' CD2' HD12 ' A' ' 102' ' ' LEU . 4.1 mm? -111.09 104.35 12.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.416 ' O ' ' HA ' ' A' ' 19' ' ' LEU . 3.1 m -77.92 129.42 35.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.423 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.815 HD11 HD22 ' A' ' 17' ' ' LEU . 10.2 tp -81.52 130.79 35.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.506 ' N ' HD12 ' A' ' 111' ' ' LEU . 23.0 mmt180 -129.25 165.9 20.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.533 ' CB ' HD21 ' A' ' 96' ' ' LEU . 2.3 t-105 -141.64 127.07 18.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 108.007 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.444 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 3.5 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.991 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mt . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TRP . . . . . 0.486 ' C ' HD13 ' A' ' 19' ' ' LEU . 50.6 p-90 -163.99 163.52 23.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 108.001 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.73 HD21 HD21 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -104.28 146.21 29.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.94 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 111.003 -0.422 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 118.45 5.27 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.524 1.802 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 mp -79.97 113.04 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.076 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -87.21 108.96 19.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.864 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 3.2 mt -62.51 153.89 75.24 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.632 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.3 Cg_endo -74.99 164.11 34.03 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.504 1.791 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.426 ' C ' ' N ' ' A' ' 35' ' ' GLY . 96.6 p -107.04 -35.36 6.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.976 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -43.91 -27.36 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.426 ' N ' ' C ' ' A' ' 33' ' ' SER . . . 114.12 5.2 21.82 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -58.94 169.73 0.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.929 ' HB1' ' CG ' ' A' ' 59' ' ' GLU . . . -115.28 117.78 31.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 60' ' ' LEU . 9.0 tp -90.99 106.38 18.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.663 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.7 t -74.0 134.91 28.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.52 HD12 HD13 ' A' ' 60' ' ' LEU . 13.5 mt -117.21 163.74 15.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.74 -147.59 16.9 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.458 1.099 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -65.12 141.6 58.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 0.742 . . . . 0.0 110.269 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.84 -173.87 22.96 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -7.69 19.4 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.783 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.3 mp -54.91 -61.67 2.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.143 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.696 ' OG1' HG23 ' A' ' 48' ' ' VAL . 15.5 p -112.14 6.89 19.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 65.12 14.96 9.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.696 HG23 ' OG1' ' A' ' 46' ' ' THR . 53.0 t -75.71 133.95 30.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.6 p -128.37 10.04 6.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.398 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -69.31 128.61 37.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.5 mtt85 -58.01 -44.29 87.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -49.53 -26.75 3.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.431 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -76.94 142.05 40.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 108.283 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -119.78 133.63 55.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -38.12 -32.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.663 ' HA ' HG13 ' A' ' 39' ' ' VAL . 2.5 p30 -126.1 61.29 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.718 ' HG3' HG13 ' A' ' 58' ' ' VAL . 35.9 tp60 -69.49 -50.41 45.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.718 HG13 ' HG3' ' A' ' 57' ' ' GLN . 15.9 m -140.8 154.27 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.929 ' CG ' ' HB1' ' A' ' 37' ' ' ALA . 30.0 tt0 -107.91 114.22 27.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.52 HD13 HD12 ' A' ' 40' ' ' LEU . 3.8 mp -95.59 139.92 31.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.434 ' CG1' ' HA ' ' A' ' 37' ' ' ALA . 16.9 mt -138.59 121.45 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.864 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.46 129.06 37.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.33 87.75 53.64 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 0.59 8.76 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.53 1.805 . . . . 0.0 110.975 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.7 -39.73 84.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.263 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.464 ' O ' HG23 ' A' ' 68' ' ' THR . 26.5 m -142.6 30.96 1.49 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.98 59.05 4.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 66' ' ' SER . 2.0 p -135.59 176.3 8.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.368 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 61' ' ' ILE . 99.0 t -149.05 127.94 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.43 142.76 27.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.527 HG21 ' CD1' ' A' ' 94' ' ' LEU . 69.1 t -128.59 130.24 68.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.443 ' HG2' HD21 ' A' ' 74' ' ' LEU . 4.4 ttpp -132.5 121.16 22.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.4 ' OE1' ' HA ' ' A' ' 78' ' ' PRO . 36.4 tt0 -78.26 120.16 22.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.878 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -120.59 0.06 10.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.88 -128.28 1.81 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.402 HG13 ' N ' ' A' ' 77' ' ' ASN . 2.7 p -137.07 -52.52 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.402 ' N ' HG13 ' A' ' 76' ' ' VAL . 53.8 m-80 -66.36 142.37 97.73 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PRO . . . . . 0.4 ' HA ' ' OE1' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -74.98 125.09 9.11 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.781 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 86' ' ' LEU . 4.1 m -93.68 159.26 15.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 110.002 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.482 ' HB ' ' CD2' ' A' ' 101' ' ' TYR . 53.4 m -117.54 116.72 27.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.388 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.762 HG22 HD13 ' A' ' 100' ' ' LEU . 21.3 t -97.77 85.77 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.56 -94.24 1.75 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.414 ' O ' HG22 ' A' ' 83' ' ' VAL . 10.6 p -133.7 16.81 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.59 0.818 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -124.74 141.25 52.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -86.9 147.83 25.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 79' ' ' SER . 12.6 mt -108.38 -172.77 2.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.47 ' HB2' HD22 ' A' ' 90' ' ' LEU . 7.9 mttt -144.35 172.02 6.0 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 112.31 3.53 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.55 1.816 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 98.18 0.66 58.39 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.47 HD22 ' HB2' ' A' ' 87' ' ' LYS . 4.8 tp -82.92 -177.87 6.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 0.741 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -159.29 133.24 7.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.046 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -130.78 -168.82 12.32 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 57.8 p -133.22 151.85 51.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.763 . . . . 0.0 109.985 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.681 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -127.11 129.51 48.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.9 m -100.75 166.32 10.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.962 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.639 HD21 ' CB ' ' A' ' 113' ' ' TRP . 5.3 mt -59.39 104.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 120.07 -33.52 4.52 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.82 155.43 1.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 0.742 . . . . 0.0 109.232 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 100' ' ' LEU . 94.3 t -104.58 161.26 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.762 HD13 HG22 ' A' ' 81' ' ' VAL . 60.9 tp -142.35 89.09 2.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.482 ' CD2' ' HB ' ' A' ' 80' ' ' THR . 90.4 m-85 -65.11 100.11 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.751 HD12 HD11 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -35.29 -58.61 0.56 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.55 HG22 ' H ' ' A' ' 104' ' ' ASN . 12.8 p -165.95 172.36 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.55 ' H ' HG22 ' A' ' 103' ' ' VAL . 1.1 m120 40.43 45.91 1.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 37.16 29.72 0.04 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 106' ' ' LEU . 11.7 mt -124.36 -170.78 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.507 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 9.7 m-85 38.64 58.16 5.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.55 ' C ' HD12 ' A' ' 109' ' ' LEU . 18.2 Cg_endo -75.01 172.79 15.68 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.435 1.755 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.751 HD11 HD12 ' A' ' 102' ' ' LEU . 5.6 mp -146.2 171.07 15.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.8 m -131.07 115.71 16.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.4 tp -70.41 113.0 7.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.452 ' HB2' ' CZ3' ' A' ' 18' ' ' TRP . 30.1 mmt180 -115.38 160.17 20.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.639 ' CB ' HD21 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -131.59 137.74 48.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 108.025 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.983 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.738 HD22 HD11 ' A' ' 111' ' ' LEU . 1.2 mt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 36.0 p-90 -166.97 158.49 12.49 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.926 ' CD2' HD21 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -97.24 150.94 20.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.9 0 N-CA-C 110.993 -0.426 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 131.68 14.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.472 1.775 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.2 mp -99.15 118.89 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -85.46 112.43 20.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.972 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.95 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 1.0 OUTLIER -62.82 162.2 23.39 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 112.42 3.56 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m -66.1 -28.01 68.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -47.35 -31.87 4.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.66 -7.45 8.93 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 111.023 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -53.84 177.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.567 ' HB2' HG12 ' A' ' 61' ' ' ILE . . . -123.29 121.55 36.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 38' ' ' LEU . 5.9 tp -91.3 129.1 37.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.691 HG13 ' HA ' ' A' ' 56' ' ' ASN . 2.1 t -96.1 116.22 37.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 1.024 HD23 HD13 ' A' ' 60' ' ' LEU . 1.9 mm? -99.41 167.76 10.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.412 ' HA2' HD21 ' A' ' 102' ' ' LEU . . . 147.72 -155.44 26.47 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -58.36 149.3 25.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 110.256 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 123.7 -170.51 15.98 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.421 1.076 . . . . 0.0 110.947 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' PRO . . . . . 0.451 ' HA ' ' OE1' ' A' ' 47' ' ' GLN . 18.3 Cg_endo -74.99 0.56 8.75 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.534 1.807 . . . . 0.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.79 -62.26 2.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.426 HG23 HD12 ' A' ' 40' ' ' LEU . 66.3 p -121.4 19.66 11.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.424 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLN . . . . . 0.511 ' NE2' ' N ' ' A' ' 47' ' ' GLN . 1.7 mp0 57.0 21.38 6.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.525 HG11 ' SG ' ' A' ' 53' ' ' CYS . 54.1 t -83.26 131.27 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.7 p -132.59 29.09 4.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.389 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -87.5 132.84 33.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -58.61 -41.05 84.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.429 ' O ' ' ND2' ' A' ' 77' ' ' ASN . 11.2 mttt -55.1 -27.24 43.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.525 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -78.15 163.5 25.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 108.301 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -144.46 139.14 28.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.991 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 54' ' ' SER . 3.8 mtm180 -38.38 -37.2 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.691 ' HA ' HG13 ' A' ' 39' ' ' VAL . 1.0 OUTLIER -123.6 64.3 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -72.72 -37.46 67.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.7 m -150.23 163.55 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.989 ' HB2' HD11 ' A' ' 74' ' ' LEU . 1.3 tt0 -119.26 110.61 17.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 1.024 HD13 HD23 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -93.92 144.64 25.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.607 ' O ' HG13 ' A' ' 69' ' ' VAL . 58.9 mt -141.64 118.16 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.95 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.67 129.79 38.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.418 ' OD1' HG22 ' A' ' 61' ' ' ILE . 11.2 m-20 -127.67 86.03 59.36 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.57 8.75 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.7 -45.19 62.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.567 ' O ' HG23 ' A' ' 68' ' ' THR . 0.6 OUTLIER -133.11 29.66 4.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.569 ' HD2' ' CE3' ' A' ' 113' ' ' TRP . 35.5 mmt-85 45.12 55.98 5.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 66' ' ' SER . 2.1 p -134.32 176.83 8.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 110.361 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.607 HG13 ' O ' ' A' ' 61' ' ' ILE . 89.2 t -154.9 138.78 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -100.91 140.31 35.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.077 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.662 HG21 HD13 ' A' ' 94' ' ' LEU . 69.1 t -124.82 114.81 42.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -115.37 120.46 39.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.412 ' HG2' ' HA ' ' A' ' 88' ' ' PRO . 31.0 tt0 -74.98 122.33 23.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 110.328 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.989 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -119.52 0.33 11.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.21 -141.89 11.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -123.44 -52.34 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 52' ' ' LYS . 62.2 m-80 -60.2 140.62 91.13 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 121.85 6.82 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.786 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.5 m -91.14 159.2 16.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.959 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.0 m -120.41 116.71 26.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.393 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.784 HG13 ' CD1' ' A' ' 94' ' ' LEU . 24.2 t -95.55 79.99 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 98.65 -97.39 1.87 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.7 p -129.73 18.39 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -125.15 139.75 53.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -87.59 134.3 33.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 86' ' ' LEU . 11.0 mt -95.27 -172.05 2.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.477 ' HB2' HD22 ' A' ' 90' ' ' LEU . 0.8 OUTLIER -143.63 172.69 5.27 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.412 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.92 114.26 3.99 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.487 1.783 . . . . 0.0 111.022 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.6 3.56 62.63 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.477 HD22 ' HB2' ' A' ' 87' ' ' LYS . 5.3 tp -85.9 -179.43 6.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.62 132.79 6.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.019 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.86 -168.71 12.17 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.2 p -129.18 151.78 49.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.754 . . . . 0.0 110.03 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.784 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -125.19 116.86 22.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.4 m -87.82 152.31 22.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.043 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 mt -47.59 109.86 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 114.92 -27.73 8.49 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.51 150.27 23.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 0.755 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.501 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 58.7 t -100.76 162.13 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.597 HD13 HG22 ' A' ' 81' ' ' VAL . 24.4 tp -141.14 84.45 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.436 ' O ' ' C ' ' A' ' 102' ' ' LEU . 93.7 m-85 -60.73 99.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.724 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -37.76 -58.07 0.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.588 HG22 ' H ' ' A' ' 104' ' ' ASN . 7.2 p -163.84 173.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.588 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.5 OUTLIER 42.81 36.24 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 47.06 22.7 1.36 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.455 1.097 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 40.8 mt -119.29 -171.25 2.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 0.765 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.458 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 3.5 m-85 42.72 61.01 9.71 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.501 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.2 Cg_endo -75.08 135.66 19.21 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.453 1.765 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.724 ' CD2' HD12 ' A' ' 102' ' ' LEU . 4.0 mm? -114.99 94.8 4.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 19' ' ' LEU . 64.6 m -67.7 136.48 54.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.429 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.738 HD11 HD22 ' A' ' 17' ' ' LEU . 16.2 tp -84.77 131.76 34.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -132.93 166.12 23.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.569 ' CE3' ' HD2' ' A' ' 67' ' ' ARG . 11.8 t-105 -126.43 145.28 50.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 108.019 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.408 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 23.4 t . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 110.008 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 mt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -166.96 158.45 12.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 108.035 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.498 ' HG ' HD21 ' A' ' 31' ' ' LEU . 14.2 mt -98.92 143.64 29.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.327 179.96 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 111.72 3.39 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.45 1.763 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.8 mp -83.87 145.27 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -103.92 109.89 21.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.87 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 2.3 mt -60.01 159.56 20.19 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 125.04 9.06 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.537 1.809 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -81.18 -29.39 34.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -47.82 -26.93 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.97 -9.69 11.27 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.546 1.154 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -48.14 175.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 0.783 . . . . 0.0 110.298 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.716 ' HB1' ' CG ' ' A' ' 59' ' ' GLU . . . -123.81 118.84 28.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 38' ' ' LEU . 11.1 tp -93.16 106.36 18.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.588 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.7 t -76.53 122.46 30.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.733 HD23 HD11 ' A' ' 102' ' ' LEU . 1.0 OUTLIER -96.44 174.07 7.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.13 -155.07 26.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -69.7 139.48 53.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.776 . . . . 0.0 110.331 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.88 -174.9 24.07 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -7.65 19.39 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.447 1.761 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.4 mp -56.06 -60.58 3.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.419 ' OG1' HG23 ' A' ' 48' ' ' VAL . 28.1 p -112.57 6.21 18.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 65.66 14.92 9.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.426 HG11 ' SG ' ' A' ' 53' ' ' CYS . 25.2 t -75.9 132.09 33.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 45.9 p -131.8 27.53 4.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.429 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -88.49 129.86 35.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.227 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.74 -45.44 78.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -48.22 -30.32 4.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.478 ' SG ' HD22 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -76.97 150.95 35.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.31 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -126.87 136.38 52.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 0.0 110.031 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -38.43 -30.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.588 ' HA ' HG13 ' A' ' 39' ' ' VAL . 2.4 m120 -130.52 62.31 1.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.75 ' HG3' HG13 ' A' ' 58' ' ' VAL . 34.6 tp60 -67.28 -58.12 5.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.75 HG13 ' HG3' ' A' ' 57' ' ' GLN . 20.5 m -136.9 163.45 32.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 1.017 ' HB2' HD11 ' A' ' 74' ' ' LEU . 15.9 tt0 -115.51 113.55 23.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.821 HD21 HD23 ' A' ' 100' ' ' LEU . 0.6 OUTLIER -94.09 138.73 31.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.619 ' O ' HG13 ' A' ' 69' ' ' VAL . 21.5 mt -138.96 116.66 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.87 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.54 128.47 35.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.11 90.29 50.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.33 9.04 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.797 . . . . 0.0 111.041 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.62 -41.3 72.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.419 ' O ' HG23 ' A' ' 68' ' ' THR . 58.4 m -133.26 23.13 4.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.976 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.0 mpp_? 52.62 43.63 30.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.317 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 66' ' ' SER . 2.3 p -126.83 174.17 9.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 110.427 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' ' 61' ' ' ILE . 48.3 t -142.8 143.02 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -99.15 144.8 27.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.64 HG21 HD22 ' A' ' 100' ' ' LEU . 24.0 t -136.17 112.12 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -113.25 126.77 55.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.503 ' CD ' ' HA ' ' A' ' 88' ' ' PRO . 1.4 tm0? -72.64 125.08 26.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 1.017 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -123.58 -5.01 8.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLY . . . . . 0.479 ' N ' ' OE1' ' A' ' 73' ' ' GLN . . . -93.18 -150.24 26.32 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.1 p -117.63 -47.87 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 0.778 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -66.3 140.88 96.98 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 116.27 4.54 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.781 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.7 m -85.95 150.77 24.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.032 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.9 m -102.21 117.29 34.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.371 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.894 HG13 ' CD2' ' A' ' 94' ' ' LEU . 4.2 t -99.97 75.02 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.6 -96.04 2.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.483 1.115 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.7 p -123.77 13.71 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -124.4 141.94 51.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.077 . . . . 0.0 110.321 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -96.73 123.9 40.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.31 -171.74 3.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.418 ' O ' ' HB3' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -149.34 171.37 6.39 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.503 ' HA ' ' CD ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -75.06 87.56 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 126.1 1.01 7.48 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.45 1.094 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.4 tp -88.62 -177.32 5.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 0.778 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.89 134.31 9.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.984 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -136.12 -174.89 13.54 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.534 1.146 . . . . 0.0 110.96 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.8 p -133.92 153.38 51.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 0.747 . . . . 0.0 109.981 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.894 ' CD2' HG13 ' A' ' 81' ' ' VAL . 2.9 mm? -114.4 145.06 42.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.477 ' CB ' ' OD2' ' A' ' 98' ' ' ASP . 1.4 m -110.99 171.41 7.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.974 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.572 HD21 ' CB ' ' A' ' 113' ' ' TRP . 5.6 mt -68.37 116.0 8.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 100.01 -19.51 52.84 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' ASP . . . . . 0.477 ' OD2' ' CB ' ' A' ' 95' ' ' SER . 84.7 m-20 -63.94 158.92 21.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.574 HG13 ' HB2' ' A' ' 108' ' ' PRO . 70.5 t -111.0 151.77 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.821 HD23 HD21 ' A' ' 60' ' ' LEU . 12.1 tp -132.13 84.47 2.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 102' ' ' LEU . 89.6 m-85 -60.52 98.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.733 HD11 HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -36.02 -58.55 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.599 HG22 ' H ' ' A' ' 104' ' ' ASN . 8.2 p -164.18 174.01 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.599 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.5 OUTLIER 43.62 33.9 0.74 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.16 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 49.51 21.09 2.92 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 70.3 mt -119.52 -171.34 2.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.749 . . . . 0.0 109.273 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.451 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 3.9 m-85 43.19 61.46 9.8 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.65 ' C ' HD22 ' A' ' 109' ' ' LEU . 18.2 Cg_endo -74.98 145.36 31.42 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.553 1.817 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.65 HD22 ' C ' ' A' ' 108' ' ' PRO . 4.1 mm? -122.28 82.52 1.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.7 m -60.05 135.38 57.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.582 HD12 ' H ' ' A' ' 112' ' ' ARG . 29.1 tp -89.1 141.31 28.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.582 ' H ' HD12 ' A' ' 111' ' ' LEU . 24.3 mmt180 -143.65 149.94 38.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.572 ' CB ' HD21 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -126.63 132.95 51.12 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.03 179.96 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.421 HD22 HD11 ' A' ' 111' ' ' LEU . 4.3 mt . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.7 p-90 -165.18 151.09 9.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 108.023 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.778 HD22 HD21 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -89.78 145.88 24.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.336 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 110.99 -0.427 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 112.92 3.68 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.535 1.808 . . . . 0.0 110.957 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.606 HD11 ' O ' ' A' ' 45' ' ' LEU . 2.0 mp -76.69 122.93 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -90.6 103.91 16.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.897 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 1.0 OUTLIER -55.35 161.71 2.66 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.697 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.2 Cg_endo -75.08 169.65 22.11 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.511 1.795 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.4 p -113.72 -24.83 8.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 36' ' ' GLN . 1.5 m-20 -75.77 54.79 0.82 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 34' ' ' ASP . . . 32.65 37.63 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.526 ' O ' HG23 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -83.76 176.09 9.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 110.262 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.765 ' HB1' ' HG2' ' A' ' 59' ' ' GLU . . . -126.21 121.21 32.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 38' ' ' LEU . 11.3 tp -100.06 107.98 20.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.703 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.8 t -73.43 129.78 36.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.646 HD12 HD13 ' A' ' 60' ' ' LEU . 14.3 mt -109.57 173.19 6.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 141.91 -155.04 25.24 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -56.49 147.74 21.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 0.73 . . . . 0.0 110.347 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.39 -178.09 18.07 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -6.25 17.82 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.606 ' O ' HD11 ' A' ' 29' ' ' ILE . 0.4 OUTLIER -55.19 -62.19 1.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 81.9 p -112.81 10.47 19.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.39 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 61.02 23.42 13.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.3 t -83.95 127.29 39.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.6 p -123.43 7.82 9.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -70.23 133.42 47.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -32.39 73.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -60.71 -15.58 30.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.402 ' SG ' HD22 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -94.74 137.8 33.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 108.3 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -113.83 141.55 47.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.027 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -38.8 -46.07 1.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 110.288 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.703 ' HA ' HG13 ' A' ' 39' ' ' VAL . 4.3 p30 -113.0 58.42 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLN . . . . . 0.694 ' HG3' HG13 ' A' ' 58' ' ' VAL . 36.2 tp60 -64.13 -53.0 56.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.268 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.694 HG13 ' HG3' ' A' ' 57' ' ' GLN . 14.3 m -140.67 159.34 24.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.989 ' HB2' HD11 ' A' ' 74' ' ' LEU . 19.3 tt0 -112.18 118.01 34.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.646 HD13 HD12 ' A' ' 40' ' ' LEU . 1.7 mp -103.08 132.78 49.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.526 HG23 ' O ' ' A' ' 36' ' ' GLN . 8.3 mt -129.97 121.37 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.897 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.88 135.4 41.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.86 84.74 53.19 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.82 8.44 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.517 1.798 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -74.8 -30.38 61.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.7 m -143.31 16.88 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.953 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.467 ' HG2' ' CE3' ' A' ' 113' ' ' TRP . 1.2 mtt180 55.14 48.51 19.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.454 ' C ' HG23 ' A' ' 69' ' ' VAL . 2.9 p -124.95 177.36 6.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.097 . . . . 0.0 110.364 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.561 HG23 HD21 ' A' ' 111' ' ' LEU . 84.5 t -153.95 131.52 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -93.69 144.76 25.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.758 HG21 HD13 ' A' ' 94' ' ' LEU . 76.8 t -128.76 116.51 41.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 59' ' ' GLU . 8.5 ttpt -122.58 120.66 34.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.419 ' HG2' ' HA ' ' A' ' 88' ' ' PRO . 31.0 tt0 -79.99 118.85 22.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.368 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.989 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -115.4 6.08 14.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -97.38 -145.25 18.75 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -119.28 -50.19 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -61.27 137.63 94.43 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 126.79 10.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.496 1.787 . . . . 0.0 111.056 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 m -97.73 159.17 15.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.023 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 89.2 m -119.81 123.88 44.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.393 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.871 HG22 HD13 ' A' ' 100' ' ' LEU . 13.2 t -103.32 83.65 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.226 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.52 -96.41 2.03 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.17 15.93 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -124.93 136.86 54.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.19 145.08 28.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.325 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 86' ' ' LEU . 12.4 mt -104.75 -172.38 2.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LYS . . . . . 0.474 ' HB2' HD22 ' A' ' 90' ' ' LEU . 6.7 mttt -142.97 172.67 5.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.419 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.1 Cg_endo -75.03 113.94 3.91 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.475 1.776 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.32 1.18 62.67 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.539 1.149 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.474 HD22 ' HB2' ' A' ' 87' ' ' LYS . 5.5 tp -83.44 179.85 7.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -156.66 134.93 11.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.961 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.73 -167.83 11.97 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.128 . . . . 0.0 110.954 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.1 p -133.18 153.94 51.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 0.773 . . . . 0.0 109.975 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.764 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -130.33 129.85 43.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.8 p -98.89 160.62 14.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.02 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.523 HD21 ' CB ' ' A' ' 113' ' ' TRP . 3.7 mt -53.3 107.97 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 115.89 -37.94 3.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -48.22 149.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 0.734 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.496 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 61.8 t -99.55 165.38 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.871 HD13 HG22 ' A' ' 81' ' ' VAL . 55.6 tp -145.51 84.91 1.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.431 ' O ' ' C ' ' A' ' 102' ' ' LEU . 97.8 m-85 -61.28 99.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.632 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -38.01 -58.43 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.573 HG22 ' H ' ' A' ' 104' ' ' ASN . 8.9 p -163.54 173.02 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.573 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.5 OUTLIER 44.56 35.66 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 46.48 22.61 1.07 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.115 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.4 ' N ' ' C ' ' A' ' 104' ' ' ASN . 49.5 mt -118.46 -170.78 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 0.78 . . . . 0.0 109.283 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.468 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 3.3 m-85 43.41 60.09 11.28 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.496 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.2 Cg_endo -74.96 132.02 15.0 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.523 1.802 . . . . 0.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.632 ' CD2' HD12 ' A' ' 102' ' ' LEU . 3.9 mm? -110.58 110.6 21.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 19' ' ' LEU . 76.9 m -80.92 130.15 34.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.561 HD21 HG23 ' A' ' 69' ' ' VAL . 49.9 tp -81.12 122.06 26.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -120.99 162.0 20.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.523 ' CB ' HD21 ' A' ' 96' ' ' LEU . 3.4 t-105 -133.79 131.26 39.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 108.037 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.402 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 12.5 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 53.0 p-90 -162.49 160.88 26.69 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LEU . . . . . 0.923 ' CD2' HD21 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -98.02 140.42 32.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 110.281 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 116.7 4.66 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.531 1.806 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.9 mp -89.11 140.39 15.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -107.29 123.67 48.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.939 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' LEU . . . . . 0.923 HD21 ' CD2' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -77.69 164.01 60.22 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PRO . . . . . 0.587 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.2 Cg_endo -74.99 148.24 35.04 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.504 1.792 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.1 p -93.32 -35.09 13.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.36 -32.8 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.18 -2.28 6.72 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.518 1.136 . . . . 0.0 111.047 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLN . . . . . 0.418 ' HB2' ' CG ' ' A' ' 32' ' ' PRO . 16.5 mt-30 -52.83 172.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 0.784 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . 0.786 ' HB1' ' HG2' ' A' ' 59' ' ' GLU . . . -124.0 124.52 42.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 38' ' ' LEU . 7.5 tp -97.52 106.46 18.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.769 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.8 t -71.27 132.67 33.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.364 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.836 HD12 HD13 ' A' ' 60' ' ' LEU . 15.0 mt -120.26 154.36 35.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' GLY . . . . . 0.457 ' HA2' ' CD2' ' A' ' 102' ' ' LEU . . . 162.19 -142.74 8.18 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.473 1.108 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 0.7 OUTLIER -65.6 141.0 58.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 0.787 . . . . 0.0 110.284 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.69 -170.88 21.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -1.75 11.63 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.543 1.812 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.06 -62.04 2.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' THR . . . . . 0.598 HG21 HD11 ' A' ' 102' ' ' LEU . 68.5 p -119.16 12.68 12.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.368 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 65.52 11.49 7.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.565 HG11 ' SG ' ' A' ' 53' ' ' CYS . 13.1 t -73.18 126.59 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.432 ' O ' ' OG1' ' A' ' 49' ' ' THR . 1.4 t -132.81 38.9 3.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.429 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -103.22 131.02 50.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.7 mtm105 -55.24 -40.65 71.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LYS . . . . . 0.449 ' O ' ' ND2' ' A' ' 77' ' ' ASN . 7.8 mmtm -52.04 -30.92 27.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' CYS . . . . . 0.565 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -77.38 173.84 11.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.083 . . . . 0.0 108.288 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 54' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -151.98 136.5 16.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.019 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ARG . . . . . 0.457 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 0.7 OUTLIER -37.69 -32.22 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ASN . . . . . 0.769 ' HA ' HG13 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -123.07 59.8 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -69.22 -35.87 76.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -151.02 169.19 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLU . . . . . 0.786 ' HG2' ' HB1' ' A' ' 37' ' ' ALA . 4.1 tt0 -123.65 100.13 6.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LEU . . . . . 0.836 HD13 HD12 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -83.75 135.83 34.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ILE . . . . . 0.601 ' O ' HG13 ' A' ' 69' ' ' VAL . 4.7 mt -136.64 119.67 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.288 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ALA . . . . . 0.864 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.08 115.08 13.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ASP . . . . . 0.433 ' OD1' HG22 ' A' ' 61' ' ' ILE . 0.6 OUTLIER -116.67 86.09 18.16 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 0.88 8.4 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.501 1.79 . . . . 0.0 110.952 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.48 -28.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' SER . . . . . 0.551 ' O ' ' CB ' ' A' ' 67' ' ' ARG . 0.4 OUTLIER -162.91 -47.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.052 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ARG . . . . . 0.551 ' CB ' ' O ' ' A' ' 66' ' ' SER . 0.0 OUTLIER 154.28 70.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.3 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.469 HG23 ' C ' ' A' ' 67' ' ' ARG . 40.0 p -154.48 177.76 10.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.393 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' VAL . . . . . 0.601 HG13 ' O ' ' A' ' 61' ' ' ILE . 69.1 t -154.82 138.84 8.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.429 1.081 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ALA . . . . . 0.528 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . . . -91.02 146.01 24.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' VAL . . . . . 0.855 HG21 HD13 ' A' ' 94' ' ' LEU . 82.2 t -137.27 103.78 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 59' ' ' GLU . 1.2 ttmp? -107.44 123.36 48.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.425 ' HG2' ' HA ' ' A' ' 88' ' ' PRO . 35.6 tt0 -79.24 108.31 12.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.519 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -99.93 -3.19 32.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -87.77 -142.62 7.98 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 110.95 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -125.91 -52.71 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 0.784 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.485 ' HB3' HG23 ' A' ' 103' ' ' VAL . 37.9 m-80 -58.24 142.32 81.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.17 9.81 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.4 t -98.13 157.94 15.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.001 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 84' ' ' GLN . 87.0 m -116.66 107.5 14.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.844 HG13 ' CD1' ' A' ' 94' ' ' LEU . 5.0 t -89.57 74.1 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 106.67 -98.02 1.29 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.05 17.58 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 80' ' ' THR . 14.8 tt0 -124.78 140.87 52.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -86.38 136.2 33.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 86' ' ' LEU . 12.7 mt -99.84 -172.66 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -141.06 169.58 11.19 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' PRO . . . . . 0.425 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -75.05 98.24 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 113.66 2.67 24.05 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.448 ' HA ' HD12 ' A' ' 90' ' ' LEU . 5.9 tp -87.2 178.66 6.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.757 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.55 134.92 10.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.985 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -134.74 -167.87 11.54 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.46 1.1 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.2 m -126.25 143.93 50.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 0.763 . . . . 0.0 110.037 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' LEU . . . . . 0.855 HD13 HG21 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -118.43 119.83 35.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 95' ' ' SER . . . . . 0.537 ' C ' HD23 ' A' ' 111' ' ' LEU . 3.1 m -86.46 164.78 16.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.406 HD21 ' C ' ' A' ' 112' ' ' ARG . 9.8 mt -65.38 107.96 1.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 119.36 -29.89 5.99 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.426 1.079 . . . . 0.0 110.966 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.19 171.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 82' ' ' GLY . 19.2 t -121.62 149.91 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.652 ' CD2' HD11 ' A' ' 60' ' ' LEU . 10.5 tp -128.7 86.74 2.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' TYR . . . . . 0.506 ' O ' ' C ' ' A' ' 102' ' ' LEU . 90.2 m-85 -62.64 96.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 111.043 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' LEU . . . . . 0.761 HD12 HD11 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -32.22 -59.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.543 HG22 ' N ' ' A' ' 104' ' ' ASN . 14.4 p -164.56 171.74 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' ASN . . . . . 0.543 ' N ' HG22 ' A' ' 103' ' ' VAL . 0.5 OUTLIER 41.52 42.78 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 40.18 26.4 0.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.515 1.135 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 104' ' ' ASN . 28.6 mt -119.91 -170.2 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 0.764 . . . . 0.0 109.285 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' TYR . . . . . 0.493 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 11.3 m-85 37.45 58.89 4.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 108' ' ' PRO . . . . . 0.559 ' C ' HD12 ' A' ' 109' ' ' LEU . 18.3 Cg_endo -74.97 -178.4 4.14 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.5 1.789 . . . . 0.0 110.958 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.761 HD11 HD12 ' A' ' 102' ' ' LEU . 5.2 mp -153.08 173.16 15.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.353 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 91.4 m -133.33 103.42 5.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.401 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LEU . . . . . 0.537 HD23 ' C ' ' A' ' 95' ' ' SER . 43.3 tp -60.31 130.84 48.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 112' ' ' ARG . . . . . 0.406 ' C ' HD21 ' A' ' 96' ' ' LEU . 21.0 mmt180 -133.19 168.09 19.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 113' ' ' TRP . . . . . 0.451 ' C ' ' CD1' ' A' ' 113' ' ' TRP . 0.3 OUTLIER -130.7 150.39 51.91 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 114' ' ' SER . . . . . 0.443 ' O ' ' NE1' ' A' ' 113' ' ' TRP . 5.1 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.05 108.9 12.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 0.742 . . . . 0.0 110.017 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.3 t -63.19 -58.44 7.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.029 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.62 -146.55 47.21 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 110.953 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.12 123.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 0.762 . . . . 0.0 109.992 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.4 m 63.25 161.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.39 -73.77 0.13 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.499 1.124 . . . . 0.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.2 mtp -168.45 156.35 8.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 0.764 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 175.17 135.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.027 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -168.65 124.97 0.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.4 mt -86.24 -65.25 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -130.97 -161.11 10.18 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -85.44 -30.49 23.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 0.758 . . . . 0.0 109.968 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 46.65 -172.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -177.56 -161.52 26.09 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -145.29 145.06 31.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.478 HD22 HD11 ' A' ' 111' ' ' LEU . 9.7 mt -84.61 150.07 25.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.527 ' CZ2' ' HB3' ' A' ' 112' ' ' ARG . 50.8 p-90 -166.83 169.29 13.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 108.012 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.407 ' HG ' HD21 ' A' ' 31' ' ' LEU . 11.1 mt -112.55 141.9 45.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -107.75 131.08 54.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.274 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.16 148.22 39.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.023 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 167.87 26.09 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.5 t -39.79 159.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.383 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 50.61 39.81 38.79 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.464 1.102 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.04 -179.81 16.29 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.32 14.71 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.5 1.789 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 173.53 14.35 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 0.0 111.024 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 107.43 2.48 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 mp -80.41 134.54 27.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -96.25 104.22 16.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.839 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 2.4 mt -53.36 153.88 6.68 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 123.77 8.14 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.475 1.776 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.408 ' C ' ' N ' ' A' ' 35' ' ' GLY . 90.3 p -79.59 -31.22 41.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.974 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -45.69 -26.29 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 33' ' ' SER . . . 115.41 -5.7 21.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -53.39 175.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 0.0 110.257 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.79 ' HB1' ' HG2' ' A' ' 59' ' ' GLU . . . -119.2 120.56 37.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.264 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 tp -93.99 101.64 13.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.635 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.7 t -72.62 126.92 34.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.538 HD12 HD13 ' A' ' 60' ' ' LEU . 16.3 mt -107.88 155.22 20.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.459 ' HA2' ' CD2' ' A' ' 102' ' ' LEU . . . 162.43 -153.6 24.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -64.01 139.51 58.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 110.332 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.84 -172.33 22.64 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.459 1.099 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -9.67 20.9 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.523 1.801 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mp -52.63 -60.89 2.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 61.2 p -114.9 7.42 15.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.434 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 65.6 20.27 11.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.402 HG11 ' SG ' ' A' ' 53' ' ' CYS . 16.0 t -83.52 129.86 36.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.5 p -129.86 28.62 5.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.419 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -92.6 125.28 37.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -29.51 44.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.403 ' O ' ' OD1' ' A' ' 77' ' ' ASN . 29.9 mmtt -62.34 -22.13 65.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.559 ' SG ' HD22 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -90.82 140.05 30.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 108.274 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -112.9 138.21 50.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 110.007 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.1 OUTLIER -38.39 -35.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.635 ' HA ' HG13 ' A' ' 39' ' ' VAL . 2.5 p30 -124.29 59.23 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -63.61 -47.05 83.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 110.344 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.474 HG12 ' HA ' ' A' ' 73' ' ' GLN . 0.7 OUTLIER -146.16 167.74 7.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 1.006 ' HB2' HD11 ' A' ' 74' ' ' LEU . 6.5 tt0 -121.27 109.31 14.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.809 HD11 HD21 ' A' ' 100' ' ' LEU . 2.6 mp -93.4 141.28 28.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.544 HD11 ' HB2' ' A' ' 37' ' ' ALA . 21.2 mt -138.72 120.36 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.839 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.8 118.4 17.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -115.94 88.06 20.45 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.31 9.07 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.503 1.791 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.31 -38.05 89.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.254 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.5 m -144.05 29.4 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.028 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.16 55.78 8.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.269 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.8 p -134.89 175.25 9.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.416 HG13 ' O ' ' A' ' 61' ' ' ILE . 98.9 t -148.21 132.27 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -93.59 140.61 29.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.545 HG21 HD13 ' A' ' 94' ' ' LEU . 94.4 t -128.04 130.97 69.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 4.9 ttpt -133.61 124.14 26.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.474 ' HA ' HG12 ' A' ' 58' ' ' VAL . 33.5 tt0 -79.12 120.13 23.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.006 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -117.8 2.21 12.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -97.36 -148.17 23.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -118.73 -45.63 3.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 52' ' ' LYS . 2.2 m120 -62.2 138.28 96.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.257 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 122.64 7.36 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.537 1.809 . . . . 0.0 111.025 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -93.34 159.32 15.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.971 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.0 m -120.65 123.15 42.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.414 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.705 ' O ' HG12 ' A' ' 81' ' ' VAL . 4.0 t -103.26 78.01 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 100.54 -93.6 1.21 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.405 ' O ' HG22 ' A' ' 83' ' ' VAL . 9.4 p -134.18 16.99 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.766 . . . . 0.0 109.373 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 85' ' ' GLU . 1.9 tt0 -125.4 136.72 53.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.402 ' N ' ' HG3' ' A' ' 84' ' ' GLN . 1.0 OUTLIER -82.18 142.85 31.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 86' ' ' LEU . 11.0 mt -101.33 -173.83 2.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.51 ' HB2' HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -141.02 171.56 7.41 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.417 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -75.08 114.01 3.92 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.494 1.787 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.59 2.11 61.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.445 1.091 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.51 HD22 ' HB2' ' A' ' 87' ' ' LYS . 5.1 tp -84.34 -178.86 7.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 0.3 OUTLIER -160.13 141.62 12.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.058 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -140.63 -168.04 11.25 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.5 p -131.76 151.87 51.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.756 . . . . 0.0 109.993 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.545 HD13 HG21 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -126.17 130.18 50.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -94.57 165.41 12.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.49 HD11 ' CB ' ' A' ' 113' ' ' TRP . 4.3 mt -60.9 108.17 0.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 115.48 -28.03 8.08 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -56.93 154.48 9.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.289 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 55.8 t -105.34 160.2 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.809 HD21 HD11 ' A' ' 60' ' ' LEU . 29.7 tp -141.08 84.29 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.44 ' O ' ' C ' ' A' ' 102' ' ' LEU . 95.2 m-85 -62.21 99.99 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.811 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -36.74 -59.52 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.535 HG12 ' SG ' ' A' ' 53' ' ' CYS . 3.3 p -163.33 167.73 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.535 ' N ' HG22 ' A' ' 103' ' ' VAL . 0.6 OUTLIER 50.72 30.42 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.403 ' O ' ' CD1' ' A' ' 101' ' ' TYR . . . 50.97 20.59 4.49 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 66.9 mt -114.7 -171.91 2.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.446 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 14.9 m-85 43.87 61.78 10.17 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.446 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.2 Cg_endo -75.01 139.53 24.35 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.532 1.806 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.811 ' CD2' HD12 ' A' ' 102' ' ' LEU . 3.6 mm? -117.13 103.29 10.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 61.3 m -76.72 125.5 29.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 110.406 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.478 HD11 HD22 ' A' ' 17' ' ' LEU . 18.8 tp -81.87 128.82 34.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.527 ' HB3' ' CZ2' ' A' ' 18' ' ' TRP . 23.8 mmt180 -133.5 155.61 49.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.351 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.49 ' CB ' HD11 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -129.32 133.58 47.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 108.018 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.444 ' O ' ' NE1' ' A' ' 113' ' ' TRP . 24.9 t -74.12 140.48 45.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -162.02 103.24 0.22 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 160.16 40.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 54.0 p -107.45 170.2 8.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.987 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.9 124.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.962 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.115 . . . . 0.0 110.982 179.945 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 m -129.47 117.84 21.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 110.008 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 p -174.36 115.77 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.23 -123.19 7.84 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.26 -58.5 2.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 0.778 . . . . 0.0 109.968 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.65 118.66 0.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.041 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.15 113.45 0.3 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 110.944 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.79 96.12 6.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.752 . . . . 0.0 110.995 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.94 87.73 1.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.028 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -161.19 127.29 3.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.346 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 mt -110.86 148.27 32.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.54 60.53 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.406 ' HB3' ' NH1' ' A' ' 16' ' ' ARG . 29.3 p -164.54 116.34 1.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.958 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -117.99 20.7 13.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.558 ' HA3' ' CZ2' ' A' ' 113' ' ' TRP . . . 150.22 115.24 0.72 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.406 ' NH1' ' HB3' ' A' ' 13' ' ' SER . 0.0 OUTLIER -97.86 141.3 31.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 110.276 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 mt -83.11 155.28 23.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 41.1 p-90 -167.05 171.32 11.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 108.016 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.416 HD11 HD22 ' A' ' 60' ' ' LEU . 23.3 mt -110.14 144.78 38.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -114.47 111.24 21.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.342 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.77 148.42 48.54 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 109.986 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 169.15 23.26 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.772 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.6 m -39.23 151.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.35 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 51.66 54.55 24.27 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -141.58 -174.04 14.21 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 173.54 14.31 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.534 1.808 . . . . 0.0 111.045 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 173.79 13.91 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.46 1.768 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 105.01 2.0 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.52 1.8 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.4 mp -78.85 129.35 37.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -98.74 115.38 28.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.92 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 0.3 OUTLIER -68.57 164.7 42.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.752 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.2 Cg_endo -74.95 173.69 14.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.792 . . . . 0.0 111.021 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.1 p -120.84 -38.22 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -48.17 -30.65 4.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.22 -1.57 7.15 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.7 mp0 -49.48 172.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 110.351 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.775 ' HB1' ' HG3' ' A' ' 59' ' ' GLU . . . -124.62 118.93 27.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 38' ' ' LEU . 8.7 tp -90.99 109.21 20.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.093 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.605 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.8 t -80.41 133.29 29.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.3 mt -116.54 156.78 26.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.249 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.37 -160.85 33.08 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.458 1.099 . . . . 0.0 111.004 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -53.51 144.1 17.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 0.788 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 127.2 -171.37 18.76 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -3.25 13.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.486 1.782 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.99 -61.37 2.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.542 HG21 HD11 ' A' ' 102' ' ' LEU . 63.3 p -115.39 7.68 15.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.429 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 64.82 20.19 12.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.629 HG11 ' SG ' ' A' ' 53' ' ' CYS . 8.8 t -83.05 133.81 28.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.1 p -116.82 -12.1 10.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.447 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -53.41 128.02 27.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -59.28 -47.65 84.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -46.64 -27.61 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.629 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -79.54 113.87 18.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 108.307 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.24 139.09 31.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.3 mtt-85 -38.48 -34.14 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.605 ' HA ' HG13 ' A' ' 39' ' ' VAL . 2.9 m120 -124.39 58.95 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.085 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.655 ' HG3' HG13 ' A' ' 58' ' ' VAL . 38.0 tp60 -65.79 -48.34 72.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.655 HG13 ' HG3' ' A' ' 57' ' ' GLN . 6.1 m -138.32 170.63 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.775 ' HG3' ' HB1' ' A' ' 37' ' ' ALA . 16.3 tt0 -128.82 108.09 10.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.644 HD21 HD23 ' A' ' 100' ' ' LEU . 3.3 mp -92.75 139.86 30.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.563 ' O ' HG13 ' A' ' 69' ' ' VAL . 24.2 mt -134.29 125.88 48.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.92 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -75.62 125.79 29.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.63 86.57 52.69 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -3.33 13.77 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.57 1.826 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -64.88 -50.89 64.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.666 ' O ' HG23 ' A' ' 68' ' ' THR . 0.6 OUTLIER -129.55 36.9 4.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.529 ' NH1' ' CZ2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER 41.69 54.94 3.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.666 HG23 ' O ' ' A' ' 66' ' ' SER . 1.9 p -133.0 177.45 7.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 61' ' ' ILE . 95.0 t -150.11 125.91 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -86.02 145.34 27.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.575 HG21 HD13 ' A' ' 94' ' ' LEU . 90.5 t -130.71 138.89 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 2.1 ttpt -139.99 120.42 14.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.434 ' HA ' HG12 ' A' ' 58' ' ' VAL . 36.9 tt0 -78.28 113.71 16.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.772 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -107.93 3.24 23.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.1 -147.4 22.58 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 p -120.29 -47.88 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 0.773 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -62.69 139.84 97.02 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 124.74 8.84 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.465 1.771 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 86' ' ' LEU . 9.9 m -93.17 159.07 15.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.9 m -117.1 122.71 44.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.43 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.796 HG13 HD12 ' A' ' 94' ' ' LEU . 39.3 t -103.15 89.01 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.53 -92.79 1.75 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.498 1.123 . . . . 0.0 110.967 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.401 ' O ' HG22 ' A' ' 83' ' ' VAL . 8.6 p -131.47 19.9 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.53 0.782 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -125.1 146.27 49.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.22 139.21 31.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 79' ' ' SER . 10.7 mt -102.65 -172.91 2.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -143.67 170.55 8.3 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.424 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -75.01 96.23 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 116.77 -0.63 19.94 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.3 tp -85.23 -178.23 6.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.753 . . . . 0.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 0.6 OUTLIER -159.46 143.52 14.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -143.63 -167.93 11.97 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.34 153.92 49.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 110.002 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.796 HD12 HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -124.37 129.3 50.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 m -96.33 148.59 22.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 110.028 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.74 HD11 ' HB2' ' A' ' 113' ' ' TRP . 5.9 mt -43.86 110.46 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.409 1.068 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 112.29 -39.74 2.77 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -46.2 148.61 0.85 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 0.73 . . . . 0.0 109.255 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.417 ' CG1' ' HB3' ' A' ' 108' ' ' PRO . 55.5 t -97.32 160.69 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.648 HD13 HG22 ' A' ' 81' ' ' VAL . 52.4 tp -142.97 84.83 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.439 ' O ' ' C ' ' A' ' 102' ' ' LEU . 95.3 m-85 -62.53 99.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.551 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -37.15 -59.89 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.681 HG22 ' H ' ' A' ' 104' ' ' ASN . 5.2 p -161.24 178.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.681 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.8 OUTLIER 42.44 32.3 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 49.84 20.59 3.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 41.5 mt -119.7 -170.97 2.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 0.744 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.475 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 2.7 m-85 48.62 60.3 15.75 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.475 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.4 Cg_endo -75.02 130.61 13.41 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.467 1.772 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.551 ' CD2' HD12 ' A' ' 102' ' ' LEU . 4.0 mm? -108.6 98.29 7.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 97.6 m -69.86 125.31 26.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 110.388 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.554 HD21 HG23 ' A' ' 69' ' ' VAL . 38.0 tp -82.62 126.01 31.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -124.65 162.73 23.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.74 ' HB2' HD11 ' A' ' 96' ' ' LEU . 7.6 t-105 -123.14 138.79 54.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 108.009 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.57 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 0.9 OUTLIER -89.6 152.77 21.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.004 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 140.95 -150.19 21.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 151.44 39.29 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.547 1.814 . . . . 0.0 110.981 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.1 t -173.1 100.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.953 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 36.9 p -97.94 102.78 14.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.033 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.425 1.078 . . . . 0.0 110.997 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -122.91 -58.59 1.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 109.994 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.1 m 62.66 78.85 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.965 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.94 94.92 0.17 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.9 m -120.74 146.1 46.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 0.0 110.006 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.1 m 61.9 138.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 110.022 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.79 60.54 0.21 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.97 150.33 16.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 110.947 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.8 p -43.96 107.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.986 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -171.02 93.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.8 mp -81.24 75.62 8.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.88 117.6 0.02 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.5 p -65.27 135.88 55.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 0.782 . . . . 0.0 110.008 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -63.52 166.23 6.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.261 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -42.93 132.33 5.19 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.433 ' HD2' ' CD2' ' A' ' 30' ' ' PHE . 3.8 ptt180 -126.39 149.4 49.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.525 HD22 HD11 ' A' ' 111' ' ' LEU . 1.1 mt -80.31 156.94 26.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.445 ' CE3' ' HB2' ' A' ' 28' ' ' PRO . 50.1 p-90 -166.92 157.01 11.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 108.032 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.914 ' CD2' HD21 ' A' ' 31' ' ' LEU . 0.7 OUTLIER -96.04 143.34 27.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -107.12 101.06 10.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.35 148.18 49.07 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.997 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 152.98 41.56 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.489 1.784 . . . . 0.0 110.969 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.7 t -39.98 150.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 110.461 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.85 -38.91 3.16 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 0.0 110.939 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.04 -169.48 20.05 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.74 15.78 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.534 1.807 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 173.46 14.48 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.504 1.792 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . 0.445 ' HB2' ' CE3' ' A' ' 18' ' ' TRP . 18.3 Cg_endo -74.94 105.37 2.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.463 1.77 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 mp -78.63 141.3 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.433 ' CD2' ' HD2' ' A' ' 16' ' ' ARG . 52.7 m-85 -104.29 114.21 28.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.914 HD21 ' CD2' ' A' ' 19' ' ' LEU . 2.0 mt -64.53 160.44 52.08 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.441 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.3 Cg_endo -75.02 124.48 8.64 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.3 m -78.43 -22.94 46.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.555 1.16 . . . . 0.0 110.009 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.01 -34.02 58.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.12 -11.08 6.19 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.513 1.133 . . . . 0.0 110.958 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -48.57 168.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 0.752 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.813 ' HB1' ' HG3' ' A' ' 59' ' ' GLU . . . -117.1 122.36 43.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.3 tp -92.28 99.64 12.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.63 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.5 t -70.61 116.97 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.505 HD23 HD11 ' A' ' 102' ' ' LEU . 1.0 OUTLIER -93.45 173.34 7.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 140.14 -162.59 26.4 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -53.95 143.25 22.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 0.733 . . . . 0.0 110.289 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.51 -179.1 18.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.499 1.125 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.14 9.59 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mp -59.96 -60.36 3.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.71 ' OG1' HG23 ' A' ' 48' ' ' VAL . 43.5 p -114.62 8.33 16.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.435 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 66.99 15.97 10.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.71 HG23 ' OG1' ' A' ' 46' ' ' THR . 57.4 t -74.66 126.42 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 40.7 p -127.56 33.27 4.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -97.26 132.12 43.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.99 -31.18 72.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -62.91 -15.93 57.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.451 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -90.85 136.71 32.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 108.286 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -108.38 134.56 51.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.986 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.58 -31.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.247 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.63 ' HA ' HG13 ' A' ' 39' ' ' VAL . 1.1 p30 -126.21 56.43 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.522 ' HG3' HG13 ' A' ' 58' ' ' VAL . 36.3 tp60 -61.79 -46.09 91.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.337 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.522 HG13 ' HG3' ' A' ' 57' ' ' GLN . 10.3 m -145.6 157.52 12.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.855 ' HB2' HD11 ' A' ' 74' ' ' LEU . 27.0 tt0 -113.55 99.62 7.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.732 HD21 HD23 ' A' ' 100' ' ' LEU . 3.1 mp -80.72 141.61 34.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.557 HG22 ' OD1' ' A' ' 63' ' ' ASP . 90.6 mt -139.93 116.21 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.897 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.55 120.93 20.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.557 ' OD1' HG22 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -121.99 84.42 44.89 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.568 1.168 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 0.57 8.74 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -64.89 -42.78 94.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.314 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.25 16.62 4.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.97 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.571 ' CD ' ' CZ3' ' A' ' 113' ' ' TRP . 7.5 mmt-85 60.21 69.22 0.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.6 p -148.99 174.8 11.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.429 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.438 ' CG2' HD22 ' A' ' 111' ' ' LEU . 93.5 t -146.95 125.88 4.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.44 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . . . -87.99 146.03 25.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.61 HG21 HD13 ' A' ' 94' ' ' LEU . 87.0 t -137.41 111.94 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -112.65 120.75 42.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.42 ' HG2' ' HA ' ' A' ' 88' ' ' PRO . 31.6 tt0 -72.49 117.17 13.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.855 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -119.51 8.06 11.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -101.0 -146.16 18.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -120.26 -51.34 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.449 0.735 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -63.52 141.38 97.87 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 126.83 10.23 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.468 1.773 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.0 m -97.61 159.25 15.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.1 m -119.04 108.23 14.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.402 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.851 HG13 HD12 ' A' ' 94' ' ' LEU . 8.1 t -87.38 73.41 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.361 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 105.05 -95.84 1.15 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.541 1.15 . . . . 0.0 110.993 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.1 p -132.43 16.62 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.435 0.727 . . . . 0.0 109.334 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -125.16 129.17 49.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.66 140.43 42.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 86' ' ' LEU . 11.7 mt -101.6 -173.67 2.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.47 174.33 3.7 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.42 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -74.96 108.47 2.72 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.514 1.797 . . . . 0.0 111.03 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.4 1.14 55.62 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.545 1.153 . . . . 0.0 111.021 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.1 tp -88.67 -176.85 5.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 28.7 t -156.26 171.36 20.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -160.63 -167.76 21.59 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.449 1.093 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 92.2 p -138.62 129.98 27.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 0.747 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.851 HD12 HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -104.19 129.06 51.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 60.4 m -98.42 165.36 11.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.981 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.451 HD21 ' N ' ' A' ' 113' ' ' TRP . 4.6 mt -59.17 105.15 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 116.16 -28.12 7.78 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.529 1.143 . . . . 0.0 110.953 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -57.52 148.37 24.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.744 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.518 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 60.0 t -99.06 160.87 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.732 HD23 HD21 ' A' ' 60' ' ' LEU . 18.2 tp -140.62 84.38 1.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.42 ' O ' ' C ' ' A' ' 102' ' ' LEU . 95.0 m-85 -60.43 99.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.505 HD11 HD23 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -37.58 -58.27 0.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.571 HG22 ' H ' ' A' ' 104' ' ' ASN . 9.1 p -163.2 172.88 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.571 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.4 OUTLIER 43.2 36.41 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 46.84 22.89 1.28 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 30.0 mt -118.49 -171.41 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.46 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 3.6 m-85 43.0 60.77 10.22 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.518 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.02 138.85 23.53 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.509 1.794 . . . . 0.0 110.954 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.51 HD22 ' C ' ' A' ' 108' ' ' PRO . 4.0 mm? -117.39 101.96 8.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 19' ' ' LEU . 32.0 m -74.81 130.62 39.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.366 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.525 HD11 HD22 ' A' ' 17' ' ' LEU . 16.2 tp -83.19 134.94 34.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.464 ' H ' HD12 ' A' ' 111' ' ' LEU . 23.4 mmt180 -139.53 151.79 46.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.571 ' CZ3' ' CD ' ' A' ' 67' ' ' ARG . 8.1 t-105 -110.57 141.87 43.17 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.4 t -95.16 143.95 26.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.022 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 153.14 -174.05 31.92 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 80.46 2.41 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.482 1.78 . . . . 0.0 111.035 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 61.8 m -102.8 -54.65 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.007 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.6 t 57.77 97.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.033 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 111.024 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -157.02 128.51 6.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t 63.61 144.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.68 -119.25 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.446 1.091 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t -161.48 -58.48 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 0.746 . . . . 0.0 110.029 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 p -147.5 158.04 43.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.04 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.49 73.29 1.28 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.563 1.165 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.0 141.17 30.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.758 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.1 p -176.18 139.3 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 0.0 109.988 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.5 99.28 5.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.96 -64.31 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.3 -144.66 4.14 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.6 t -102.1 -39.14 7.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.986 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 50.83 178.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.571 ' HA3' ' CZ2' ' A' ' 113' ' ' TRP . . . -76.29 169.79 54.86 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -142.0 129.37 21.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 0.0 110.335 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.66 HD22 HD11 ' A' ' 111' ' ' LEU . 3.2 mt -80.36 147.73 30.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.433 ' CB ' ' O ' ' A' ' 29' ' ' ILE . 53.2 p-90 -166.39 157.04 12.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 107.96 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.801 ' CD2' HD21 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -94.0 144.88 25.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -108.39 93.08 4.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.49 148.35 98.13 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 159.63 41.04 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.559 1.821 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 m -40.23 153.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.403 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.3 54.23 38.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.439 1.087 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.51 -172.48 23.14 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 173.63 14.18 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.468 1.772 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 173.69 14.07 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.499 1.789 . . . . 0.0 110.979 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 118.35 5.22 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.548 1.815 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.51 HD11 ' O ' ' A' ' 45' ' ' LEU . 2.7 mp -86.08 140.38 15.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -104.3 107.22 18.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.889 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 0.5 OUTLIER -63.61 164.0 17.93 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.882 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.1 Cg_endo -75.04 152.49 40.63 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.515 1.798 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.4 m -102.16 -27.3 12.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.009 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -50.09 -36.85 31.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.62 -6.82 5.88 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.438 1.086 . . . . 0.0 111.034 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -51.21 -179.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 0.782 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.638 ' HB1' ' CG ' ' A' ' 59' ' ' GLU . . . -130.0 123.31 30.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.418 ' HA ' HD12 ' A' ' 38' ' ' LEU . 6.9 tp -92.88 106.79 18.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.714 HG13 ' HA ' ' A' ' 56' ' ' ASN . 2.0 t -70.88 121.38 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.585 HD23 HD11 ' A' ' 102' ' ' LEU . 1.0 OUTLIER -96.08 173.56 7.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.96 -165.21 25.69 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.501 1.125 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -46.75 148.59 1.0 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 0.786 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.84 178.39 15.46 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.453 1.096 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -8.48 20.12 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.806 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.51 ' O ' HD11 ' A' ' 29' ' ' ILE . 6.2 mp -57.68 -59.95 4.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.648 HG21 HD11 ' A' ' 102' ' ' LEU . 63.2 p -106.89 -2.65 21.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.366 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 65.9 29.08 10.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.661 HG11 ' SG ' ' A' ' 53' ' ' CYS . 11.7 t -90.93 133.35 32.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 50' ' ' ASP . 39.4 p -119.17 -33.25 4.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.426 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 49' ' ' THR . 49.2 t0 -39.04 123.62 1.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -58.02 -22.49 50.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.402 ' O ' ' CG ' ' A' ' 77' ' ' ASN . 57.1 mmtt -60.78 -15.28 28.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.661 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -96.71 140.99 30.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 108.31 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -116.18 138.56 51.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -38.94 -40.64 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.266 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.714 ' HA ' HG13 ' A' ' 39' ' ' VAL . 4.1 m-20 -117.77 58.06 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.56 ' HG3' HG13 ' A' ' 58' ' ' VAL . 45.9 tp60 -63.12 -51.22 67.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.338 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.56 HG13 ' HG3' ' A' ' 57' ' ' GLN . 4.6 m -141.96 163.89 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.94 ' HB2' HD11 ' A' ' 74' ' ' LEU . 3.5 tt0 -115.39 107.13 14.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.53 HD21 HD23 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -90.37 144.01 26.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.349 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.723 ' O ' HG13 ' A' ' 69' ' ' VAL . 69.5 mt -140.79 121.21 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.889 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -78.85 118.87 21.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.78 86.43 30.22 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 0.31 9.06 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.491 1.785 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -47.63 84.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.423 ' O ' HG23 ' A' ' 68' ' ' THR . 0.4 OUTLIER -137.72 31.84 2.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 109.951 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.608 ' CD ' ' CE3' ' A' ' 113' ' ' TRP . 6.5 mmt-85 50.71 67.41 0.94 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.48 ' C ' HG23 ' A' ' 69' ' ' VAL . 6.8 p -146.16 177.26 9.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.437 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.723 HG13 ' O ' ' A' ' 61' ' ' ILE . 99.6 t -155.64 141.67 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.2 144.84 30.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.428 HG11 HD11 ' A' ' 100' ' ' LEU . 86.0 t -132.95 114.5 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -116.61 119.09 34.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -74.97 112.29 11.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.94 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -110.15 -5.28 15.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.241 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.12 -140.95 7.89 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.547 1.155 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -124.25 -53.08 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.473 ' HB3' HG23 ' A' ' 103' ' ' VAL . 3.1 m120 -53.86 137.26 55.26 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 124.67 8.81 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.492 1.785 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.8 m -95.01 159.2 15.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 110.042 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.2 m -122.43 108.51 13.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.417 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.661 HG13 HD12 ' A' ' 94' ' ' LEU . 24.6 t -89.47 83.57 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.3 -98.65 2.22 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.8 p -131.37 17.08 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.516 0.774 . . . . 0.0 109.223 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -125.15 132.33 53.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -75.88 145.08 40.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 86' ' ' LEU . 12.0 mt -103.87 -172.52 2.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.522 ' HB2' HD22 ' A' ' 90' ' ' LEU . 10.5 mtpt -144.21 171.68 6.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 114.39 4.01 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.5 1.79 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.84 2.12 61.34 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.522 HD22 ' HB2' ' A' ' 87' ' ' LYS . 5.2 tp -83.97 -179.77 7.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.82 132.51 6.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.033 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -130.69 -169.4 12.46 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.538 1.148 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 26.7 m -133.05 152.23 51.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 0.797 . . . . 0.0 109.977 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.661 HD12 HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -125.67 133.45 52.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.102 . . . . 0.0 109.346 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 74.9 m -99.01 170.61 8.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.005 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.515 HD21 ' C ' ' A' ' 112' ' ' ARG . 4.0 mt -65.83 103.19 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 119.53 -22.87 8.65 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.36 156.84 18.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.751 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.442 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 75.2 t -107.05 159.56 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.602 HD13 HG22 ' A' ' 81' ' ' VAL . 37.7 tp -141.08 84.27 1.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.434 ' O ' ' C ' ' A' ' 102' ' ' LEU . 97.6 m-85 -60.15 99.77 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.717 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -37.85 -58.22 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.559 HG22 ' H ' ' A' ' 104' ' ' ASN . 10.8 p -163.46 172.54 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.559 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.4 OUTLIER 43.35 38.71 1.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 43.96 24.55 0.53 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.412 ' N ' ' C ' ' A' ' 104' ' ' ASN . 28.3 mt -119.62 -171.27 2.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.462 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 4.7 m-85 42.12 60.5 9.27 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.462 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.5 Cg_endo -74.97 132.98 16.07 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.547 1.814 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.717 ' CD2' HD12 ' A' ' 102' ' ' LEU . 3.8 mm? -112.03 103.72 11.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 19' ' ' LEU . 4.9 m -78.26 128.69 34.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.428 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.66 HD11 HD22 ' A' ' 17' ' ' LEU . 27.5 tp -78.75 137.16 37.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.515 ' C ' HD21 ' A' ' 96' ' ' LEU . 22.7 mmt180 -135.27 175.53 9.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.608 ' CE3' ' CD ' ' A' ' 67' ' ' ARG . 1.6 t-105 -148.04 128.07 13.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 0.0 108.0 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.571 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 10.8 t -72.32 155.33 40.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -163.44 167.44 37.66 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.476 1.11 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 143.24 28.7 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.504 1.792 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 7.2 m 72.26 -69.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.031 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 74.57 84.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.097 . . . . 0.0 110.003 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.54 -58.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 0.745 . . . . 0.0 109.978 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.81 159.39 15.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.94 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.65 171.06 14.26 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.43 161.03 14.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 0.744 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 t -56.83 109.16 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.051 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.85 -92.15 0.15 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.519 1.137 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.88 119.59 1.02 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.6 t -90.39 139.97 30.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.975 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -159.67 107.23 1.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.7 mt 62.66 140.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -88.27 64.6 3.53 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.525 1.141 . . . . 0.0 111.034 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 65.6 p -60.75 170.9 1.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 0.737 . . . . 0.0 110.048 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.2 mtt-85 58.38 177.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.486 ' N ' ' CZ2' ' A' ' 113' ' ' TRP . . . -169.41 -160.65 18.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.135 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.29 138.59 29.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 0.786 . . . . 0.0 110.266 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mt -83.07 155.73 23.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 41.3 p-90 -166.94 174.41 8.48 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.702 HD11 HD22 ' A' ' 60' ' ' LEU . 14.9 mt -114.31 143.95 44.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 9.6 tt0 -115.36 101.09 8.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.3 148.15 95.53 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.981 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.59 ' O ' HG22 ' A' ' 23' ' ' THR . 18.3 Cg_endo -74.98 170.82 19.57 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.59 HG22 ' O ' ' A' ' 22' ' ' PRO . 7.4 t 45.77 -164.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.409 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.13 35.83 2.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.57 -145.01 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 171.65 17.89 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.797 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 173.81 13.88 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.459 1.768 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 104.99 2.0 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.2 mp -77.67 124.11 35.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.235 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -89.63 110.54 21.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 111.031 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.91 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 2.0 mt -62.13 161.33 24.68 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 126.62 10.08 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.522 1.801 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.2 m -86.22 -27.65 24.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.48 -38.66 63.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 138.65 -12.86 3.44 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -49.18 176.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.759 . . . . 0.0 110.271 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.716 ' HB1' ' CG ' ' A' ' 59' ' ' GLU . . . -125.34 125.97 44.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 38' ' ' LEU . 9.1 tp -92.62 106.77 18.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.704 HG13 ' HA ' ' A' ' 56' ' ' ASN . 2.0 t -76.37 111.35 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.466 HD22 HD13 ' A' ' 60' ' ' LEU . 1.4 mp -95.55 158.46 15.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.431 ' HA2' HD21 ' A' ' 102' ' ' LEU . . . 155.39 -155.47 26.28 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -61.13 142.97 56.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 0.794 . . . . 0.0 110.296 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 128.98 -170.32 20.15 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -1.76 11.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.779 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.15 -61.8 2.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.461 ' CG2' ' HG ' ' A' ' 40' ' ' LEU . 69.6 p -117.51 9.79 13.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 64.93 18.35 11.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.5 HG11 ' SG ' ' A' ' 53' ' ' CYS . 54.5 t -81.63 134.39 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 48.2 p -130.05 28.21 5.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.374 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -88.94 127.95 35.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -54.17 -44.24 71.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -53.63 -28.41 32.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.5 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -79.44 124.1 28.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 108.278 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -102.43 141.17 35.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 54' ' ' SER . 18.3 mtp180 -38.19 -38.47 0.34 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.704 ' HA ' HG13 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -122.02 62.27 0.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 40.5 tp60 -70.31 -34.55 72.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.0 m -151.22 169.43 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 109.312 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.716 ' CG ' ' HB1' ' A' ' 37' ' ' ALA . 4.1 tt0 -128.96 105.2 8.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.702 HD22 HD11 ' A' ' 19' ' ' LEU . 1.9 mp -90.39 141.01 29.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.506 HD11 ' HB2' ' A' ' 37' ' ' ALA . 40.7 mt -140.77 117.04 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.91 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.49 127.59 33.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -126.15 87.29 56.42 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.73 8.56 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.467 1.772 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.38 -48.14 62.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.7 m -125.73 24.3 7.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.005 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.566 ' HD3' ' CZ3' ' A' ' 113' ' ' TRP . 0.2 OUTLIER 51.19 54.31 11.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.9 p -138.2 172.29 13.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.143 . . . . 0.0 110.409 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 61' ' ' ILE . 84.1 t -141.18 128.56 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.478 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . . . -85.28 145.98 27.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.69 HG21 HD13 ' A' ' 94' ' ' LEU . 38.6 t -132.97 137.39 53.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.505 ' HG2' HD23 ' A' ' 74' ' ' LEU . 3.6 ttpt -145.49 124.92 13.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.423 ' HG2' ' HA ' ' A' ' 88' ' ' PRO . 37.5 tt0 -84.06 118.58 24.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.505 HD23 ' HG2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -109.83 -1.34 17.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.55 -145.17 15.68 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -121.95 -50.91 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.782 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -56.56 139.43 75.42 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 122.07 6.97 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.801 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.0 m -90.92 158.66 16.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.984 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 86.9 m -118.11 120.54 38.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.795 HG13 ' CD1' ' A' ' 94' ' ' LEU . 76.0 t -101.29 90.22 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.4 -92.39 1.72 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.424 ' O ' HG22 ' A' ' 83' ' ' VAL . 10.7 p -132.8 20.31 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 0.743 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -125.12 148.0 48.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.69 141.69 28.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.491 HD11 HG21 ' A' ' 81' ' ' VAL . 11.3 mt -105.84 -172.37 2.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -143.62 169.44 10.42 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.292 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.423 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.99 95.76 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 117.13 1.59 18.77 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.0 tp -86.01 -177.77 6.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 0.6 OUTLIER -158.99 139.67 12.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.008 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -138.49 -167.91 11.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.68 146.79 51.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.775 . . . . 0.0 109.959 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.795 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -119.57 129.68 54.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.2 m -98.2 163.67 12.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.043 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.435 HD21 ' N ' ' A' ' 113' ' ' TRP . 2.3 mt -56.14 107.84 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 114.89 -35.18 4.52 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.95 150.64 2.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.417 ' CG1' ' HB3' ' A' ' 108' ' ' PRO . 40.3 t -104.05 157.37 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.542 HD23 HD21 ' A' ' 60' ' ' LEU . 49.9 tp -137.66 84.44 2.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.337 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.435 ' O ' ' C ' ' A' ' 102' ' ' LEU . 90.2 m-85 -61.94 98.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.586 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -37.47 -58.33 0.86 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.622 HG22 ' H ' ' A' ' 104' ' ' ASN . 9.9 p -163.08 174.96 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.622 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.5 OUTLIER 43.8 34.17 0.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 47.61 22.52 1.81 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 40.0 mt -119.84 -171.19 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 109.25 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.471 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 3.0 m-85 47.33 60.38 15.25 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.471 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.3 Cg_endo -74.97 126.78 10.21 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.508 1.794 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.586 ' CD2' HD12 ' A' ' 102' ' ' LEU . 3.8 mm? -105.16 88.01 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 86.6 m -62.51 131.23 48.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.399 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.518 HD12 ' N ' ' A' ' 112' ' ' ARG . 11.1 tp -82.14 127.96 33.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.518 ' N ' HD12 ' A' ' 111' ' ' LEU . 30.5 mmt180 -130.82 157.03 43.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.566 ' CZ3' ' HD3' ' A' ' 67' ' ' ARG . 2.0 t-105 -118.29 147.59 43.3 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.401 ' O ' ' NE1' ' A' ' 113' ' ' TRP . 0.3 OUTLIER -99.53 134.72 42.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 110.009 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 162.36 165.99 20.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.115 . . . . 0.0 111.045 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 139.27 23.97 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 33.2 t 63.84 101.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.971 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.3 p -135.6 124.49 24.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.996 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 p -113.66 141.39 47.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 110.018 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 51.42 89.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.025 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.53 121.0 4.71 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -113.99 -60.12 1.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 110.016 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.66 160.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.031 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.68 97.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -171.13 119.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.9 p -161.04 167.28 26.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.027 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -128.68 96.25 4.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 mt -120.75 167.81 12.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -147.82 134.52 5.16 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.441 1.088 . . . . 0.0 111.043 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.7 m -72.6 118.22 15.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 0.76 . . . . 0.0 109.942 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.7 mmt-85 -135.21 171.89 13.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -175.47 -156.39 14.55 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.446 1.091 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.482 ' HD2' ' CE1' ' A' ' 30' ' ' PHE . 1.3 ptt-85 -145.68 136.45 24.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 0.768 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.493 HD22 HD11 ' A' ' 111' ' ' LEU . 3.3 mt -78.01 157.98 29.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 22.4 p-90 -166.94 171.48 11.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 107.963 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.9 mt -114.09 139.83 48.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -112.67 105.11 13.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 p -96.79 148.28 34.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.02 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 168.74 24.14 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.516 1.798 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.461 ' CG2' ' N ' ' A' ' 24' ' ' GLY . 1.4 m 63.6 168.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.42 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.461 ' N ' ' CG2' ' A' ' 23' ' ' THR . . . -87.96 31.74 4.57 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 24' ' ' GLY . . . -59.56 -122.93 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 162.64 36.88 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 173.59 14.25 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.513 1.796 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 123.67 8.03 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.508 HD11 ' O ' ' A' ' 45' ' ' LEU . 2.7 mp -94.23 131.57 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.482 ' CE1' ' HD2' ' A' ' 16' ' ' ARG . 42.1 m-85 -101.54 110.87 22.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.791 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 2.1 mt -61.23 156.53 49.68 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.485 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.3 Cg_endo -74.96 135.97 19.85 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.467 1.772 . . . . 0.0 111.018 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 m -88.98 -31.32 18.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.039 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -46.52 -29.68 1.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.33 -0.16 12.75 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.517 1.135 . . . . 0.0 110.987 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.753 ' O ' HG23 ' A' ' 61' ' ' ILE . 30.6 mt-30 -57.23 167.14 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.675 ' HB1' ' HG2' ' A' ' 59' ' ' GLU . . . -115.27 120.47 39.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 38' ' ' LEU . 11.6 tp -98.41 114.91 27.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.526 HG11 ' CG ' ' A' ' 56' ' ' ASN . 2.3 t -87.45 129.35 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 40' ' ' LEU . 13.4 mt -101.15 172.35 7.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.91 -154.27 25.44 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 0.6 OUTLIER -68.01 137.38 55.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 110.295 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.16 -175.42 23.99 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -0.18 9.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.566 1.824 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.508 ' O ' HD11 ' A' ' 29' ' ' ILE . 6.5 mp -61.01 -60.49 3.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.415 HG21 HD11 ' A' ' 102' ' ' LEU . 56.0 p -114.62 9.09 16.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.443 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 65.19 23.09 12.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.087 . . . . 0.0 110.274 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.712 HG11 ' SG ' ' A' ' 53' ' ' CYS . 85.3 t -86.59 129.54 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.5 p -131.19 20.19 4.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.442 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -79.76 138.9 37.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.361 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -64.35 -22.73 67.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -70.21 -27.41 64.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.712 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -81.84 132.25 35.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 108.292 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -108.84 137.09 47.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.036 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -37.68 -36.72 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.526 ' CG ' HG11 ' A' ' 39' ' ' VAL . 3.1 m120 -125.1 65.55 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.713 ' HG3' HG13 ' A' ' 58' ' ' VAL . 38.9 tp60 -70.36 -60.92 1.99 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.713 HG13 ' HG3' ' A' ' 57' ' ' GLN . 20.8 m -137.3 162.34 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.995 ' HB2' HD11 ' A' ' 74' ' ' LEU . 11.3 tt0 -112.39 125.23 53.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.525 HD21 HD23 ' A' ' 100' ' ' LEU . 2.7 mp -107.39 122.29 46.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.775 HD13 ' HB3' ' A' ' 70' ' ' ALA . 0.3 OUTLIER -123.85 117.36 50.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.791 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -75.0 126.86 31.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -121.25 89.92 47.02 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -0.66 10.26 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.523 1.802 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -60.16 -44.36 95.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 m -139.21 22.55 2.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.0 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.521 ' HD3' ' CZ3' ' A' ' 113' ' ' TRP . 18.7 mmt85 59.82 63.57 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.6 p -141.53 174.37 10.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.391 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.6 t -147.32 136.72 16.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.775 ' HB3' HD13 ' A' ' 61' ' ' ILE . . . -95.47 145.0 25.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.681 HG21 ' CD1' ' A' ' 94' ' ' LEU . 80.7 t -131.5 116.08 30.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -124.37 121.8 35.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.584 ' HA ' HG12 ' A' ' 58' ' ' VAL . 33.9 tt0 -77.0 116.71 17.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.995 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -112.31 -0.05 15.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -95.95 -146.75 21.48 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -119.14 -45.41 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -61.41 137.97 94.71 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 125.18 9.18 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.504 1.791 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -95.11 159.24 15.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.944 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 84' ' ' GLN . 72.1 m -122.4 123.68 41.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.417 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.472 HG13 ' CD1' ' A' ' 94' ' ' LEU . 52.9 t -100.4 88.06 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.88 -92.51 1.81 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.1 p -131.86 19.83 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 0.779 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.52 ' O ' HG23 ' A' ' 80' ' ' THR . 14.0 tt0 -125.03 145.02 50.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -92.78 142.34 27.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 86' ' ' LEU . 11.3 mt -103.43 -172.46 2.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.372 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.482 ' HB2' HD22 ' A' ' 90' ' ' LEU . 2.2 mtpp -143.83 172.08 6.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 113.15 3.73 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.455 1.766 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.12 0.82 59.76 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.482 HD22 ' HB2' ' A' ' 87' ' ' LYS . 5.2 tp -83.34 -178.76 7.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.32 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -158.4 141.82 15.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.982 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.42 -167.85 11.31 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 81.7 p -133.68 153.87 51.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.76 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.681 ' CD1' HG21 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -126.75 126.35 43.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.9 m -90.96 158.19 16.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 110.038 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.6 mt -55.48 103.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 119.34 -24.25 8.22 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.115 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -60.97 151.69 29.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 0.755 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.48 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 46.9 t -101.28 162.22 3.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.525 HD23 HD21 ' A' ' 60' ' ' LEU . 64.1 tp -143.51 84.9 1.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.453 ' CD1' ' O ' ' A' ' 105' ' ' GLY . 98.1 m-85 -60.89 100.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.683 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -36.78 -59.88 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.527 HG22 ' N ' ' A' ' 104' ' ' ASN . 2.8 p -165.1 167.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.155 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.527 ' N ' HG22 ' A' ' 103' ' ' VAL . 0.7 OUTLIER 53.34 26.88 5.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.353 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.453 ' O ' ' CD1' ' A' ' 101' ' ' TYR . . . 54.73 17.46 9.1 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.48 1.113 . . . . 0.0 111.037 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 89.9 mt -112.24 -170.91 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.44 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 15.1 m-85 42.68 62.1 8.6 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.48 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.1 Cg_endo -75.07 128.29 11.31 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.513 1.796 . . . . 0.0 110.953 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.683 ' CD2' HD12 ' A' ' 102' ' ' LEU . 4.2 mm? -108.17 108.94 20.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.246 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 53.5 m -82.64 132.81 35.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 110.405 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.493 HD11 HD22 ' A' ' 17' ' ' LEU . 15.6 tp -86.21 130.23 34.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -134.76 157.27 47.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.521 ' CZ3' ' HD3' ' A' ' 67' ' ' ARG . 3.2 t-105 -123.49 136.07 54.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 108.046 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.4 t -85.12 135.15 34.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.953 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -179.19 104.49 0.19 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 64.39 6.08 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.46 1.769 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 78.8 p -174.58 72.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.12 116.9 29.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.023 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 0.0 110.941 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.83 147.81 5.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 0.767 . . . . 0.0 109.981 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.3 t -135.78 156.51 48.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.98 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.23 66.47 0.57 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.533 1.146 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.68 167.03 22.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 110.013 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.5 p -90.45 83.05 5.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.0 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.94 134.09 0.15 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.517 1.135 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -115.98 -55.94 2.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 0.768 . . . . 0.0 110.958 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t -96.27 99.3 11.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.988 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.9 tm0? -174.93 89.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 mt -41.24 129.55 2.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.04 57.85 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.129 . . . . 0.0 111.03 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.4 m -120.49 160.02 23.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.56 0.8 . . . . 0.0 110.014 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -70.89 129.26 38.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.42 ' HA3' ' CE2' ' A' ' 113' ' ' TRP . . . -51.66 179.21 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.493 1.12 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -133.09 134.45 44.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 0.763 . . . . 0.0 110.292 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 mt -84.34 141.41 30.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 53.6 p-90 -160.66 164.01 32.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 107.97 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.598 HD11 HD22 ' A' ' 60' ' ' LEU . 6.6 mt -103.41 142.99 33.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -114.16 93.36 4.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 p -77.88 148.36 75.51 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.019 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 168.29 25.16 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.45 1.763 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.479 ' CG2' ' N ' ' A' ' 24' ' ' GLY . 1.6 m 63.2 169.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.409 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.479 ' N ' ' CG2' ' A' ' 23' ' ' THR . . . -86.93 29.51 5.03 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.16 -119.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.46 ' CG ' ' HG3' ' A' ' 47' ' ' GLN . 18.2 Cg_endo -74.99 155.8 43.01 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.525 1.803 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 173.79 13.89 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.466 1.772 . . . . 0.0 111.059 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 112.75 3.63 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.539 1.81 . . . . 0.0 111.039 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.64 135.55 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -96.78 108.24 20.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.818 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 2.0 mt -56.0 152.52 20.82 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 118.87 5.41 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.469 1.773 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.3 t -77.0 -27.37 54.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.993 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -49.36 -28.96 5.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.52 -7.79 12.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -53.95 171.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.848 ' HB1' ' CG ' ' A' ' 59' ' ' GLU . . . -114.7 118.19 32.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 38' ' ' LEU . 11.4 tp -91.08 105.11 17.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.633 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.6 t -76.2 122.2 29.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 40' ' ' LEU . 12.7 mt -106.89 157.26 17.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.28 -150.84 21.23 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 0.5 OUTLIER -64.01 136.13 57.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 110.341 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 139.08 -169.82 24.31 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.52 1.138 . . . . 0.0 110.968 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -1.8 11.71 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.15 -61.84 2.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.671 ' OG1' HG23 ' A' ' 48' ' ' VAL . 73.2 p -117.87 10.85 13.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.379 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.46 ' HG3' ' CG ' ' A' ' 26' ' ' PRO . 2.4 mm-40 66.04 16.77 10.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.336 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.797 HG11 ' SG ' ' A' ' 53' ' ' CYS . 88.3 t -79.26 130.24 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.4 p -131.05 25.41 4.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.38 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.04 145.22 25.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -66.03 -40.46 91.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.0 mmtm -55.71 -19.39 10.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.797 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -89.96 129.81 36.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 108.305 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -108.65 136.49 48.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 110.051 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -38.17 -35.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.344 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.633 ' HA ' HG13 ' A' ' 39' ' ' VAL . 1.6 p30 -123.86 57.56 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.419 ' HG3' HG13 ' A' ' 58' ' ' VAL . 40.4 tp60 -62.2 -44.79 95.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.346 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.419 HG13 ' HG3' ' A' ' 57' ' ' GLN . 7.0 m -149.28 157.56 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.848 ' CG ' ' HB1' ' A' ' 37' ' ' ALA . 31.7 tt0 -111.22 108.0 17.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.598 HD22 HD11 ' A' ' 19' ' ' LEU . 3.6 mp -90.1 136.39 33.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.443 HD11 ' HB2' ' A' ' 37' ' ' ALA . 24.3 mt -135.85 114.98 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.818 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.64 124.99 27.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.71 88.63 39.89 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.97 8.25 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.52 1.8 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -81.36 -23.15 37.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.259 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.733 ' O ' HG23 ' A' ' 68' ' ' THR . 0.6 OUTLIER -146.83 25.33 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.024 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? 42.4 46.25 4.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.733 HG23 ' O ' ' A' ' 66' ' ' SER . 2.4 p -125.2 176.22 6.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.408 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.507 HG23 HD21 ' A' ' 111' ' ' LEU . 86.9 t -151.85 123.49 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.91 145.92 26.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.602 HG21 HD13 ' A' ' 94' ' ' LEU . 38.3 t -133.13 109.69 14.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 6.3 ttmt -109.48 129.43 55.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.408 ' HG2' ' HA ' ' A' ' 88' ' ' PRO . 36.9 tt0 -84.87 115.12 22.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.837 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -116.38 8.01 14.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -101.91 -153.1 25.28 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.544 1.152 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.2 p -114.87 -47.62 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 0.782 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.413 ' O ' ' NE2' ' A' ' 57' ' ' GLN . 1.9 m120 -64.3 137.33 97.09 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 129.08 12.02 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.515 1.797 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.0 m -102.04 159.35 15.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.571 1.169 . . . . 0.0 110.041 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.4 m -117.01 120.05 37.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.888 HG13 HD12 ' A' ' 94' ' ' LEU . 35.9 t -98.03 81.0 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.11 -92.89 1.38 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.1 p -133.96 15.06 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -125.02 136.28 53.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.8 143.18 33.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.484 HD11 HG21 ' A' ' 81' ' ' VAL . 10.5 mt -101.32 -177.12 3.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.475 ' HB2' HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -137.91 169.78 12.1 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.408 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -74.95 110.2 3.07 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.48 1.779 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.6 3.65 56.19 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.475 HD22 ' HB2' ' A' ' 87' ' ' LYS . 5.2 tp -85.95 179.27 7.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 0.761 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.38 133.77 8.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.032 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -134.59 -167.77 11.54 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -133.26 152.05 51.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 109.985 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.888 HD12 HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -124.34 128.45 49.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.328 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 43.9 m -92.68 161.98 14.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.954 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.502 HD21 ' CB ' ' A' ' 113' ' ' TRP . 4.7 mt -57.05 110.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 113.69 -34.04 5.2 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -50.32 150.31 2.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.786 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.559 HG13 ' HB2' ' A' ' 108' ' ' PRO . 91.3 t -99.37 159.52 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.538 HD13 HG22 ' A' ' 81' ' ' VAL . 37.0 tp -140.78 84.57 1.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.439 ' O ' ' C ' ' A' ' 102' ' ' LEU . 96.5 m-85 -61.22 98.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.612 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -37.4 -58.53 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.58 HG22 ' H ' ' A' ' 104' ' ' ASN . 8.2 p -161.9 173.25 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.58 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.5 OUTLIER 42.83 35.7 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.402 ' O ' ' CD1' ' A' ' 101' ' ' TYR . . . 47.53 22.36 1.67 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 40.5 mt -118.09 -171.42 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.74 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.459 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 3.9 m-85 43.22 60.6 10.63 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.559 ' HB2' HG13 ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.02 127.93 11.06 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.504 1.792 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.612 ' CD2' HD12 ' A' ' 102' ' ' LEU . 3.4 mm? -104.64 96.36 6.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 19' ' ' LEU . 29.6 m -68.4 133.43 48.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.454 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.507 HD21 HG23 ' A' ' 69' ' ' VAL . 64.9 tp -89.37 129.07 35.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -130.7 169.66 15.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.307 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.502 ' CB ' HD21 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -138.81 129.93 26.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 108.012 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.5 t -75.89 127.98 34.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -153.23 156.3 26.65 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 154.56 42.9 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.524 1.802 . . . . 0.0 111.04 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.2 t 62.21 96.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 40.0 p -137.7 160.41 39.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.567 1.167 . . . . 0.0 110.022 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 p -47.38 167.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 0.756 . . . . 0.0 109.976 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t -113.23 -58.91 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.041 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.32 -152.85 21.88 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.49 142.7 28.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 0.742 . . . . 0.0 110.024 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -108.94 117.05 33.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.025 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.99 132.88 3.05 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.33 112.08 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 0.776 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.2 t -149.1 143.74 26.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.022 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -177.03 129.9 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -105.01 164.76 11.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.6 -133.41 6.67 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.469 1.105 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.3 m -142.09 156.43 45.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 0.0 110.033 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -120.64 160.38 23.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 110.314 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.569 ' HA3' ' CZ2' ' A' ' 113' ' ' TRP . . . -54.14 175.94 0.39 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.55 1.156 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -140.27 128.28 22.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 0.783 . . . . 0.0 110.241 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mt -82.19 138.46 34.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.419 ' C ' HD13 ' A' ' 19' ' ' LEU . 52.6 p-90 -159.93 160.12 33.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 107.958 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.806 ' CD2' HD21 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -98.82 148.05 24.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -113.56 109.52 18.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.77 148.3 51.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.987 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 169.44 22.6 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.5 t -44.43 148.37 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.387 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.42 46.0 94.74 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.509 1.13 . . . . 0.0 110.995 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -141.99 -177.35 17.02 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.46 14.48 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.53 1.805 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.4 14.58 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 113.38 3.78 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.535 1.808 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.9 mp -78.16 132.99 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -98.18 102.45 14.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.856 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 2.1 mt -58.73 159.29 13.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.652 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.3 Cg_endo -75.07 152.68 40.75 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.484 1.781 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.404 ' C ' ' N ' ' A' ' 35' ' ' GLY . 86.0 p -97.65 -35.74 10.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -45.41 -27.43 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 33' ' ' SER . . . 116.79 -3.58 19.44 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -50.42 172.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.76 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.623 ' HB1' ' CG ' ' A' ' 59' ' ' GLU . . . -120.96 122.77 40.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.6 tp -95.77 109.01 21.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.674 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.5 t -71.58 133.71 31.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.684 HD12 HD13 ' A' ' 60' ' ' LEU . 13.4 mt -112.67 167.25 10.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.99 -156.72 27.05 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -54.98 150.66 9.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.736 . . . . 0.0 110.283 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.7 -178.46 16.8 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.538 1.149 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -3.47 13.98 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.82 -61.27 2.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.696 HG21 HD11 ' A' ' 102' ' ' LEU . 66.3 p -109.05 6.3 24.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 63.1 26.52 15.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.892 HG11 ' SG ' ' A' ' 53' ' ' CYS . 40.6 t -92.64 129.16 43.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.3 p -118.04 -9.07 10.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.398 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -51.63 152.34 2.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.5 mtm180 -80.43 -33.58 36.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -61.59 -15.08 35.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.892 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -88.78 125.9 35.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.317 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.83 136.9 44.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.015 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.84 -35.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 110.332 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.674 ' HA ' HG13 ' A' ' 39' ' ' VAL . 1.2 m-20 -125.7 58.57 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.537 ' HG3' HG13 ' A' ' 58' ' ' VAL . 34.4 tp60 -61.86 -50.25 73.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.628 HG12 ' HA ' ' A' ' 73' ' ' GLN . 4.3 m -139.74 171.16 14.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.656 ' HB2' HD11 ' A' ' 74' ' ' LEU . 2.5 tt0 -122.15 109.15 14.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.805 HD11 ' CD2' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -93.06 140.93 28.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 0.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.6 ' O ' HG13 ' A' ' 69' ' ' VAL . 27.0 mt -139.4 121.42 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.856 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -75.81 121.29 22.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.03 86.11 36.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.37 9.0 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.24 -43.51 94.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.49 ' O ' HG23 ' A' ' 68' ' ' THR . 3.0 m -137.3 26.94 2.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.561 ' HD3' ' CZ3' ' A' ' 113' ' ' TRP . 1.1 mmm-85 53.39 56.93 6.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.32 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 66' ' ' SER . 18.7 p -136.86 176.1 9.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.405 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 61' ' ' ILE . 89.9 t -151.32 137.94 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -92.78 146.07 23.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.538 HG21 HD13 ' A' ' 94' ' ' LEU . 41.5 t -132.58 104.07 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -109.44 121.19 44.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.628 ' HA ' HG12 ' A' ' 58' ' ' VAL . 38.7 tt0 -77.73 116.16 18.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.656 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -109.2 -6.76 15.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -87.11 -142.84 7.61 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.558 1.161 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -126.58 -44.3 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 0.786 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -63.81 141.37 97.97 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 124.82 8.92 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.796 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -96.49 159.12 15.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.046 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.8 m -117.3 118.41 32.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.353 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.946 HG13 HD12 ' A' ' 94' ' ' LEU . 6.7 t -99.38 75.56 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 99.16 -95.52 1.56 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.8 p -129.63 19.12 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.753 . . . . 0.0 109.347 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -124.97 142.83 51.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.98 133.02 36.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.265 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.5 mt -95.3 -172.52 2.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -143.83 169.34 10.53 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.431 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -74.93 96.73 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.476 1.777 . . . . 0.0 111.04 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 115.4 4.32 20.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.9 tp -89.68 178.81 6.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 0.774 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.93 133.82 12.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.958 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -135.51 -168.69 11.65 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 69' ' ' VAL . 13.6 m -134.84 152.4 51.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 0.786 . . . . 0.0 109.978 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.946 HD12 HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -121.17 130.86 53.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.94 147.09 24.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.98 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.549 HD11 ' CB ' ' A' ' 113' ' ' TRP . 2.1 mt -43.71 110.25 0.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.142 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 112.97 -36.25 4.18 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.485 1.116 . . . . 0.0 110.957 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -50.82 149.62 3.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 0.747 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.509 HG12 ' N ' ' A' ' 100' ' ' LEU . 94.8 t -97.35 166.69 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.805 ' CD2' HD11 ' A' ' 60' ' ' LEU . 47.8 tp -147.86 84.82 1.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.468 ' CD1' ' O ' ' A' ' 105' ' ' GLY . 99.0 m-85 -61.81 100.29 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.696 HD11 HG21 ' A' ' 46' ' ' THR . 0.0 OUTLIER -36.08 -59.88 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.527 HG22 ' N ' ' A' ' 104' ' ' ASN . 2.8 p -164.88 167.51 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.527 ' N ' HG22 ' A' ' 103' ' ' VAL . 0.7 OUTLIER 52.85 28.2 6.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.468 ' O ' ' CD1' ' A' ' 101' ' ' TYR . . . 53.78 18.42 8.25 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.477 1.111 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 70.1 mt -112.03 -171.57 1.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 0.744 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.495 ' O ' ' CD2' ' A' ' 109' ' ' LEU . 11.6 m-85 43.29 61.49 9.89 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.453 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.2 Cg_endo -75.0 121.3 6.49 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.51 1.794 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 107' ' ' TYR . 3.7 mm? -101.25 118.89 37.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 19' ' ' LEU . 22.5 m -91.86 126.08 36.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.43 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.597 HD21 HG23 ' A' ' 69' ' ' VAL . 52.5 tp -79.72 129.32 34.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -127.53 165.51 19.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.263 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.569 ' CZ2' ' HA3' ' A' ' 15' ' ' GLY . 1.6 t-105 -138.48 132.02 30.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 107.989 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.481 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 4.6 t -77.93 146.27 35.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 147.42 137.01 2.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.125 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 154.02 42.17 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.491 1.785 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 51.7 p -104.95 -58.56 1.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.969 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.5 t -73.33 151.04 41.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.82 142.43 33.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 0.795 . . . . 0.0 109.982 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.8 m -139.87 -58.72 0.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 110.013 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.36 141.29 3.21 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.24 -58.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 0.793 . . . . 0.0 109.937 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.73 150.21 21.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.006 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.94 -120.11 0.5 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.6 mtm -144.01 171.4 14.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.5 p -178.5 92.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.944 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.8 75.12 0.95 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.344 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.2 mt -122.26 -72.31 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.07 104.7 0.22 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.54 1.15 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.1 p -71.56 -50.1 34.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 110.01 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.543 ' O ' ' CH2' ' A' ' 113' ' ' TRP . 53.0 mtt85 -133.87 95.17 3.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.558 ' HA3' ' CZ2' ' A' ' 113' ' ' TRP . . . 60.15 127.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.426 ' HG3' ' CD2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -106.35 133.18 51.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 110.28 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.523 HD22 HD11 ' A' ' 111' ' ' LEU . 1.6 mt -75.91 161.35 29.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 36.3 p-90 -166.47 172.91 10.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 108.025 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.444 ' HG ' HD21 ' A' ' 31' ' ' LEU . 9.4 mt -118.84 144.36 46.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -115.78 105.28 12.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.351 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 p -79.0 146.91 69.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 110.024 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.49 ' O ' HG22 ' A' ' 23' ' ' THR . 18.4 Cg_endo -75.01 149.28 36.44 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 110.982 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.642 HG23 ' N ' ' A' ' 24' ' ' GLY . 0.5 OUTLIER 72.7 -176.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.417 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.642 ' N ' HG23 ' A' ' 23' ' ' THR . . . -82.03 40.14 2.65 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.554 1.159 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.96 -139.61 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 170.16 21.02 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.47 1.774 . . . . 0.0 110.946 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 173.43 14.53 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.447 1.762 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 103.94 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 110.987 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.4 mp -77.62 128.5 38.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PHE . . . . . 0.426 ' CD2' ' HG3' ' A' ' 16' ' ' ARG . 64.0 m-85 -94.4 112.54 24.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.867 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 0.7 OUTLIER -64.6 162.58 33.98 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.869 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.1 Cg_endo -75.08 148.44 34.97 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.457 1.767 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 m -111.12 -5.41 14.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.003 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -79.46 -10.37 59.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.93 -18.53 16.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -47.11 170.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 0.771 . . . . 0.0 110.313 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.783 ' HB1' ' HG3' ' A' ' 59' ' ' GLU . . . -125.02 128.76 49.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 38' ' ' LEU . 10.6 tp -92.24 99.11 11.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.608 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.6 t -70.8 111.87 5.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.361 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 mp -92.83 174.51 7.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.99 -158.75 27.73 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -56.79 150.57 15.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 0.791 . . . . 0.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 125.19 -176.61 17.14 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.555 1.159 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.4 8.96 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.483 1.781 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.4 mp -59.84 -60.11 4.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.606 ' OG1' HG23 ' A' ' 48' ' ' VAL . 69.2 p -116.33 8.81 14.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.376 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 67.47 17.24 10.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.606 HG23 ' OG1' ' A' ' 46' ' ' THR . 68.9 t -79.45 129.53 37.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.3 p -130.42 18.22 5.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.41 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.24 131.47 35.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -62.05 -30.01 70.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.297 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -60.37 -18.36 49.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.577 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -86.41 171.25 11.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 108.313 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -145.41 136.33 24.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.994 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.1 OUTLIER -38.47 -31.79 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.608 ' HA ' HG13 ' A' ' 39' ' ' VAL . 3.8 p30 -129.28 62.44 1.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.509 ' HG3' HG13 ' A' ' 58' ' ' VAL . 41.1 tp60 -67.43 -44.42 78.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.509 HG13 ' HG3' ' A' ' 57' ' ' GLN . 7.6 m -146.88 157.33 10.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.838 ' HB2' HD11 ' A' ' 74' ' ' LEU . 23.7 tt0 -114.2 101.39 9.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.254 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.507 HD21 ' CD2' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -81.67 144.2 31.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.614 HG12 ' HB2' ' A' ' 37' ' ' ALA . 93.0 mt -140.87 113.88 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.869 ' HB3' ' O ' ' A' ' 32' ' ' PRO . . . -74.65 126.21 30.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -124.79 86.02 56.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 1.19 8.02 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.514 1.797 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -76.15 -25.65 55.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.8 m -144.58 17.72 1.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.97 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 51.33 57.17 6.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.6 p -138.29 176.41 8.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.398 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.497 HG11 HD23 ' A' ' 60' ' ' LEU . 66.9 t -146.7 136.85 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.425 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . . . -101.16 139.32 37.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.465 HG21 ' CD1' ' A' ' 94' ' ' LEU . 48.4 t -128.15 113.38 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -112.3 116.72 30.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.419 ' HG2' ' HA ' ' A' ' 88' ' ' PRO . 35.6 tt0 -71.37 119.1 15.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.838 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -122.43 10.43 9.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -100.75 -146.45 19.2 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.52 1.137 . . . . 0.0 111.04 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.3 p -120.0 -49.22 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -68.58 141.97 93.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 128.83 11.85 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.9 m -97.72 159.17 15.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.019 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.9 m -115.99 117.75 31.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.37 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.813 HG13 ' CD1' ' A' ' 94' ' ' LEU . 40.2 t -98.52 78.28 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 99.46 -94.71 1.42 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 83' ' ' VAL . 9.3 p -132.08 17.94 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -125.1 143.28 51.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.36 133.44 34.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.428 HD11 HG21 ' A' ' 81' ' ' VAL . 11.0 mt -93.0 -172.8 3.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.447 ' HB2' HD22 ' A' ' 90' ' ' LEU . 0.2 OUTLIER -145.22 172.21 5.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.419 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.96 112.24 3.51 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.488 1.783 . . . . 0.0 110.978 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.17 4.15 58.65 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.4 tp -86.78 179.64 6.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.762 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.93 132.76 8.52 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.974 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -132.58 -172.07 12.93 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.495 1.122 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 59.7 p -130.76 153.14 49.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 0.77 . . . . 0.0 110.019 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.813 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -125.03 128.45 48.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.85 151.15 19.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.008 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.493 HD21 ' N ' ' A' ' 113' ' ' TRP . 2.5 mt -46.11 108.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 115.49 -37.34 3.5 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -49.41 151.49 1.52 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 0.782 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.419 ' CG1' ' N ' ' A' ' 100' ' ' LEU . 41.0 t -101.13 160.59 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.346 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.658 HD13 HG22 ' A' ' 81' ' ' VAL . 28.7 tp -140.93 84.44 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.445 ' O ' ' C ' ' A' ' 102' ' ' LEU . 94.3 m-85 -61.71 99.11 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.113 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.565 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -36.74 -58.87 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.554 HG22 ' H ' ' A' ' 104' ' ' ASN . 11.4 p -160.56 172.17 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.554 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.9 OUTLIER 40.04 44.37 1.46 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 39.63 28.56 0.13 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.128 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 106' ' ' LEU . 13.0 mt -122.02 -172.06 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.443 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 3.9 m-85 41.49 61.67 7.66 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.443 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.3 Cg_endo -75.01 134.06 17.34 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.54 1.811 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.565 ' CD2' HD12 ' A' ' 102' ' ' LEU . 4.1 mm? -111.64 95.05 5.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 80.5 m -69.51 128.64 37.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.366 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.583 HD12 ' H ' ' A' ' 112' ' ' ARG . 17.9 tp -75.78 138.63 41.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.583 ' H ' HD12 ' A' ' 111' ' ' LEU . 24.6 mmt180 -141.33 150.43 42.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.558 ' CZ2' ' HA3' ' A' ' 15' ' ' GLY . 0.9 OUTLIER -119.49 140.17 50.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 107.975 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.1 t -92.53 129.75 38.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -143.23 -145.72 4.46 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 92.4 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.518 1.799 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 83.3 p -148.03 128.4 13.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.973 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.7 t -175.23 126.34 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.001 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.6 p -100.04 -58.39 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 0.0 110.039 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.13 98.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.036 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.08 -113.22 0.44 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.141 . . . . 0.0 111.014 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.32 110.75 6.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.997 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.26 137.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.79 61.5 0.16 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.65 164.9 3.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.1 p -131.54 153.63 49.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.014 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.5 -16.85 14.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 47.71 94.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -138.34 134.59 6.95 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.6 m -116.81 129.82 56.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 110.013 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ARG . . . . . 0.468 ' O ' ' CH2' ' A' ' 113' ' ' TRP . 0.2 OUTLIER -125.86 158.29 35.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 49.85 -173.27 0.08 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.417 1.073 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.27 138.5 16.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 0.742 . . . . 0.0 110.257 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.492 HD22 HD11 ' A' ' 111' ' ' LEU . 1.1 mt -79.61 155.93 27.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -166.88 153.94 8.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 108.009 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.821 ' CD2' HD21 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -90.71 138.28 31.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -102.56 102.8 13.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.15 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.01 148.56 35.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.982 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 170.93 19.31 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.497 1.788 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.4 t -64.9 -10.48 29.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.394 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.02 27.03 21.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -157.55 -163.64 12.85 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 173.72 14.02 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.535 1.808 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 173.87 13.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.476 1.777 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 119.11 5.51 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.508 1.793 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 mp -94.75 140.23 17.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -105.16 119.23 38.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.876 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 0.3 OUTLIER -70.8 165.49 46.16 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.739 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.3 Cg_endo -74.98 158.9 42.02 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.535 1.808 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 83.1 p -103.46 -35.77 8.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.8 -31.99 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.35 -3.08 8.28 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.68 168.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 0.787 . . . . 0.0 110.261 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.801 ' HB1' ' HG3' ' A' ' 59' ' ' GLU . . . -119.55 122.73 42.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 38' ' ' LEU . 12.9 tp -91.63 100.16 12.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.635 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.7 t -70.75 119.82 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.407 HD12 HD13 ' A' ' 60' ' ' LEU . 16.7 mt -102.37 159.36 15.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 159.95 -157.14 28.41 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.468 ' CZ ' ' HA ' ' A' ' 51' ' ' ARG . 11.7 mtm180 -56.0 138.48 48.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 0.787 . . . . 0.0 110.253 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.81 -174.69 21.49 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -0.25 9.72 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.507 1.793 . . . . 0.0 111.039 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -60.32 -61.48 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.59 HG21 HD11 ' A' ' 102' ' ' LEU . 74.6 p -117.32 11.86 14.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.437 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 64.97 19.94 11.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.323 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.474 HG11 ' SG ' ' A' ' 53' ' ' CYS . 23.0 t -77.85 122.9 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.41 ' O ' ' OG1' ' A' ' 49' ' ' THR . 1.6 t -128.55 28.86 5.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.395 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -99.08 121.73 41.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.468 ' HA ' ' CZ ' ' A' ' 42' ' ' ARG . 18.7 mtt180 -51.35 -29.31 14.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 77' ' ' ASN . 4.4 mmmt -59.04 -17.1 22.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.474 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -95.76 166.6 11.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 108.317 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.28 138.7 35.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 110.005 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.2 mtm-85 -39.29 -34.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.635 ' HA ' HG13 ' A' ' 39' ' ' VAL . 0.8 OUTLIER -123.45 58.92 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.509 ' HG3' HG13 ' A' ' 58' ' ' VAL . 32.6 tp60 -68.35 -50.22 54.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.509 HG13 ' HG3' ' A' ' 57' ' ' GLN . 4.0 m -140.67 162.34 23.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.943 ' HB2' HD11 ' A' ' 74' ' ' LEU . 17.8 tt0 -121.47 116.39 24.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.571 HD11 HD21 ' A' ' 100' ' ' LEU . 1.4 mp -99.68 141.16 32.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.551 HG12 ' HB2' ' A' ' 37' ' ' ALA . 88.4 mt -135.02 118.88 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.876 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.69 115.35 14.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -116.94 87.12 21.18 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.65 10.23 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -71.82 -35.78 70.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 110.335 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.677 ' O ' HG23 ' A' ' 68' ' ' THR . 6.1 m -136.07 26.67 3.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.037 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.665 ' CD ' ' CZ3' ' A' ' 113' ' ' TRP . 24.3 mmt85 44.83 46.86 8.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.677 HG23 ' O ' ' A' ' 66' ' ' SER . 2.9 p -129.47 177.48 7.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.434 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.437 HG13 ' O ' ' A' ' 61' ' ' ILE . 62.0 t -147.67 129.04 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -87.95 139.12 30.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.585 HG21 ' CD1' ' A' ' 94' ' ' LEU . 66.0 t -122.77 134.95 64.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 2.2 ttpt -140.44 123.5 16.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -82.67 107.74 15.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 110.276 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.943 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -100.2 -1.73 35.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.18 -146.32 19.31 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -120.6 -52.55 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 1.9 m120 -57.6 137.56 82.22 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 129.06 12.03 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.498 1.788 . . . . 0.0 111.03 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.6 m -101.34 159.41 15.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 86.1 m -115.56 117.9 31.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.385 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.844 HG13 HD12 ' A' ' 94' ' ' LEU . 24.4 t -99.24 89.15 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.96 -96.47 2.22 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.412 ' O ' HG22 ' A' ' 83' ' ' VAL . 10.3 p -130.41 17.28 2.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 0.773 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -125.2 140.83 52.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -88.67 142.32 27.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.9 mt -104.39 -172.28 2.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -143.68 170.22 8.92 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 97.5 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.52 1.8 . . . . 0.0 111.043 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 114.93 1.94 22.38 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.1 tp -86.83 -177.98 6.22 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 0.738 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -158.28 132.4 7.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.998 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -129.15 -168.12 12.29 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.459 1.1 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.81 144.16 45.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 109.958 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.844 HD12 HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -116.66 135.37 53.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.0 m -104.43 161.13 14.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.587 HD21 ' C ' ' A' ' 112' ' ' ARG . 3.9 mt -54.91 107.58 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 114.08 -32.95 5.69 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -53.23 148.33 8.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.491 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 47.5 t -97.21 164.06 2.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.745 HD13 HG22 ' A' ' 81' ' ' VAL . 34.7 tp -143.47 84.36 1.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.418 ' O ' ' C ' ' A' ' 102' ' ' LEU . 95.8 m-85 -60.32 100.16 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.59 HD11 HG21 ' A' ' 46' ' ' THR . 0.0 OUTLIER -38.19 -57.75 1.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.552 HG22 ' H ' ' A' ' 104' ' ' ASN . 11.8 p -162.57 172.21 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.552 ' H ' HG22 ' A' ' 103' ' ' VAL . 1.2 m120 40.24 45.76 1.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 37.47 30.12 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 104' ' ' ASN . 12.0 mt -123.57 -171.62 2.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.467 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 4.2 m-85 41.37 60.45 8.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.491 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.4 Cg_endo -75.01 140.03 24.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.517 1.799 . . . . 0.0 111.043 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.535 ' CD2' HD12 ' A' ' 102' ' ' LEU . 4.0 mm? -117.81 115.64 25.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 97.6 m -82.48 129.99 35.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.367 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.492 HD11 HD22 ' A' ' 17' ' ' LEU . 21.2 tp -87.39 130.15 34.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.587 ' C ' HD21 ' A' ' 96' ' ' LEU . 20.3 mmt180 -131.93 178.88 6.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.665 ' CZ3' ' CD ' ' A' ' 67' ' ' ARG . 7.0 t-105 -135.18 144.94 47.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.155 . . . . 0.0 108.024 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.5 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 14.7 t -89.08 135.81 33.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -116.56 -141.59 7.15 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 74.58 3.94 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.529 1.805 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.4 t -155.5 100.53 2.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.9 m -138.96 -56.91 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.549 1.156 . . . . 0.0 110.978 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.2 m 54.61 82.26 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 0.766 . . . . 0.0 109.985 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.12 113.93 2.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.958 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -40.27 130.06 2.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.1 t -158.53 -58.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 110.024 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -81.15 151.49 28.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.0 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.45 -92.42 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.522 1.138 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 62.09 113.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 0.768 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.9 m -96.76 169.35 9.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -86.42 51.37 2.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -45.01 132.3 6.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -117.81 -88.47 1.29 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.9 p -176.41 -43.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.758 . . . . 0.0 109.98 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 53.77 171.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.508 ' HA3' ' CZ2' ' A' ' 113' ' ' TRP . . . -172.68 -153.94 9.85 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.57 142.07 23.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.753 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.586 HD22 HD11 ' A' ' 111' ' ' LEU . 16.5 mt -82.85 148.5 27.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.547 ' HE1' ' N ' ' A' ' 114' ' ' SER . 64.1 p-90 -166.96 163.27 16.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 107.99 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.1 mt -109.23 136.02 49.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 25.5 tt0 -97.83 95.71 7.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.93 148.49 98.42 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.98 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 23' ' ' THR . 18.4 Cg_endo -74.93 158.25 42.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.458 1.767 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 22' ' ' PRO . 5.0 t -40.9 161.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.413 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 50.51 37.58 33.34 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -134.14 -170.12 12.21 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.73 14.01 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.791 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 173.79 13.9 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.526 1.803 . . . . 0.0 110.966 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 110.95 3.21 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 mp -83.58 144.9 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -105.3 119.69 39.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.846 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 2.0 mt -69.89 153.89 95.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 124.65 8.76 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.401 ' C ' ' N ' ' A' ' 35' ' ' GLY . 2.2 m -78.4 -30.31 47.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.945 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -45.94 -26.47 0.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 33' ' ' SER . . . 117.14 -7.46 16.63 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -54.18 175.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.745 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.742 ' HB1' ' CG ' ' A' ' 59' ' ' GLU . . . -122.9 125.85 46.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 38' ' ' LEU . 9.9 tp -94.96 104.16 16.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.705 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.9 t -71.11 123.3 24.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.466 HD12 HD13 ' A' ' 60' ' ' LEU . 13.6 mt -102.62 170.99 7.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.96 -157.25 27.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.447 1.092 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 -58.64 139.03 56.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 0.738 . . . . 0.0 110.275 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.22 -175.11 21.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.36 8.99 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.494 1.786 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.4 mp -60.4 -61.63 2.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.605 HG21 HD11 ' A' ' 102' ' ' LEU . 47.4 p -114.97 8.12 15.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.392 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 65.74 23.6 11.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.292 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.518 HG11 ' SG ' ' A' ' 53' ' ' CYS . 47.6 t -84.05 129.13 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.2 p -127.2 33.22 4.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.406 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -93.05 128.02 38.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.357 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -59.14 -33.68 71.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.347 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 8.8 mttt -62.42 -21.02 65.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.518 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -80.87 143.65 32.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 108.334 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -117.06 132.23 56.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 110.045 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.5 OUTLIER -37.48 -36.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.705 ' HA ' HG13 ' A' ' 39' ' ' VAL . 1.7 m120 -121.57 57.28 1.03 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.409 ' HG3' HG13 ' A' ' 58' ' ' VAL . 35.0 tp60 -60.5 -53.56 56.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.263 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.577 HG12 ' HA ' ' A' ' 73' ' ' GLN . 2.7 m -140.14 162.31 24.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.972 ' HB2' HD11 ' A' ' 74' ' ' LEU . 3.4 tt0 -114.22 108.09 16.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.487 HD11 HD21 ' A' ' 100' ' ' LEU . 1.8 mp -88.65 142.26 27.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.618 HG12 ' HB2' ' A' ' 37' ' ' ALA . 88.2 mt -140.07 118.88 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.846 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -75.04 128.49 35.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -121.85 87.73 46.87 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.96 8.24 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.431 1.753 . . . . 0.0 111.054 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 65' ' ' GLU . 2.7 tp10 -78.06 -30.29 49.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.62 ' O ' HG23 ' A' ' 68' ' ' THR . 0.4 OUTLIER -145.65 26.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 110.012 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.68 ' HB3' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER 46.98 38.31 6.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.62 HG23 ' O ' ' A' ' 66' ' ' SER . 2.2 p -115.65 174.9 5.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.421 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.618 HG13 ' O ' ' A' ' 61' ' ' ILE . 99.2 t -151.51 140.31 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -102.1 139.99 36.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.557 HG11 HD11 ' A' ' 100' ' ' LEU . 70.1 t -124.76 111.47 28.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 3.2 tttt -112.27 120.08 40.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.577 ' HA ' HG12 ' A' ' 58' ' ' VAL . 38.0 tt0 -78.62 118.95 21.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.972 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -118.1 3.37 12.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.24 -141.1 9.93 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.533 1.145 . . . . 0.0 111.012 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -123.31 -52.59 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -64.75 139.41 97.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.452 ' HA ' ' OE1' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.95 129.34 12.3 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 86' ' ' LEU . 6.4 m -95.48 159.21 15.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 27.5 m -117.36 113.72 22.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 110.433 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.759 HG13 HD12 ' A' ' 94' ' ' LEU . 24.3 t -94.62 81.14 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 98.52 -94.74 1.51 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.559 1.162 . . . . 0.0 110.961 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.1 p -133.34 16.28 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 109.282 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -125.18 137.62 54.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.237 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.56 147.26 28.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 79' ' ' SER . 12.5 mt -106.37 -172.91 2.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.51 ' HB2' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -142.13 171.21 7.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 112.57 3.59 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.797 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.01 0.99 59.83 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.51 HD22 ' HB2' ' A' ' 87' ' ' LYS . 4.9 tp -82.58 -179.14 7.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 0.749 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.38 134.39 8.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 110.012 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.72 -167.8 11.96 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.446 1.091 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.8 p -133.35 148.48 51.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 0.745 . . . . 0.0 109.973 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.759 HD12 HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -122.87 129.86 52.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.2 m -97.49 154.49 17.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.68 HD12 ' HB3' ' A' ' 67' ' ' ARG . 4.9 mt -52.56 100.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 125.28 -26.82 5.44 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.569 1.168 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -60.96 150.57 32.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 109.332 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 100' ' ' LEU . 94.1 t -96.36 166.26 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.649 HD13 HG22 ' A' ' 81' ' ' VAL . 44.5 tp -144.86 86.82 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 102' ' ' LEU . 91.3 m-85 -63.77 100.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.684 HD12 ' CD1' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -35.65 -58.42 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.543 HG22 ' H ' ' A' ' 104' ' ' ASN . 12.3 p -166.13 171.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.543 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.5 OUTLIER 41.9 43.02 2.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 40.71 26.38 0.14 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.528 1.142 . . . . 0.0 110.964 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 104' ' ' ASN . 28.4 mt -121.88 -170.99 2.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.46 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 7.1 m-85 38.4 60.77 4.9 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.46 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.2 Cg_endo -74.98 172.34 16.54 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.496 1.787 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.684 ' CD1' HD12 ' A' ' 102' ' ' LEU . 1.3 mp -153.62 133.93 13.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 99.2 m -96.54 130.59 43.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.586 HD11 HD22 ' A' ' 17' ' ' LEU . 20.1 tp -87.29 121.28 29.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -129.06 164.42 23.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.508 ' CZ2' ' HA3' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -135.46 133.79 38.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 108.027 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.547 ' N ' ' HE1' ' A' ' 18' ' ' TRP . 7.9 t -77.12 134.4 38.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.961 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -166.81 -153.78 8.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 77.42 3.13 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.456 1.766 . . . . 0.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.1 m -127.65 159.99 33.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.969 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 51.9 m 63.82 170.96 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.035 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -164.74 139.99 5.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 0.778 . . . . 0.0 110.006 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.4 152.82 4.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.81 -107.98 0.26 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.4 p -125.89 153.37 44.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.747 . . . . 0.0 110.034 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -163.88 103.39 0.9 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.21 -150.4 8.38 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.485 1.115 . . . . 0.0 110.989 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.5 mtm -137.86 -56.24 0.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 0.79 . . . . 0.0 111.014 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.16 153.55 33.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.005 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.613 ' O ' HD23 ' A' ' 11' ' ' LEU . 6.9 tt0 -126.05 98.4 5.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.613 HD23 ' O ' ' A' ' 10' ' ' GLN . 22.2 mt -149.23 -61.99 0.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.8 86.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.1 m -53.65 170.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 110.002 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.44 8.38 23.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.517 ' HA3' ' CE2' ' A' ' 113' ' ' TRP . . . -179.51 -170.86 41.86 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.87 141.64 36.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 0.806 . . . . 0.0 110.273 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.598 HD22 HD11 ' A' ' 111' ' ' LEU . 9.2 mt -85.67 151.87 23.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.456 ' HE1' ' N ' ' A' ' 114' ' ' SER . 40.7 p-90 -166.82 159.84 14.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 108.033 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.517 ' HG ' HD21 ' A' ' 31' ' ' LEU . 12.1 mt -106.88 126.81 52.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -95.28 99.04 11.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.78 148.27 98.51 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.982 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 159.98 40.79 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.458 1.768 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.3 t -40.07 159.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.426 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.45 41.49 63.64 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -143.09 -171.85 13.75 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.436 ' CD ' ' HG3' ' A' ' 47' ' ' GLN . 18.4 Cg_endo -74.93 173.94 13.62 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.496 1.787 . . . . 0.0 111.008 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 173.86 13.78 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 112.92 3.67 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.465 1.771 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 mp -85.83 143.69 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -106.55 106.06 16.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.894 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 1.1 mt -55.72 161.48 3.24 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.749 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.2 Cg_endo -74.99 156.68 43.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.463 1.77 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.414 ' C ' ' N ' ' A' ' 35' ' ' GLY . 89.2 p -104.92 -34.59 7.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.029 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -43.61 -28.5 0.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 33' ' ' SER . . . 120.16 -1.99 12.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -55.71 175.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.675 ' HB1' ' CG ' ' A' ' 59' ' ' GLU . . . -124.86 125.82 44.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 38' ' ' LEU . 8.9 tp -94.27 104.71 16.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.681 HG23 ' OE1' ' A' ' 59' ' ' GLU . 2.0 t -73.51 122.57 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.511 HD12 HD13 ' A' ' 60' ' ' LEU . 14.2 mt -103.65 170.41 7.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.457 ' HA2' HD21 ' A' ' 102' ' ' LEU . . . 148.68 -143.62 11.21 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -71.37 139.63 49.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 110.272 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.63 -175.89 20.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.32 9.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 111.061 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mp -60.98 -60.32 3.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.527 HG21 HD11 ' A' ' 102' ' ' LEU . 52.0 p -116.33 10.39 14.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.411 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.436 ' HG3' ' CD ' ' A' ' 26' ' ' PRO . 4.1 mm-40 65.6 21.88 11.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.7 t -86.56 126.94 40.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.117 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.8 p -126.71 17.07 7.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.422 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -75.17 134.59 41.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.0 mtp-105 -64.24 -40.71 96.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.23 -31.21 31.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.513 ' SG ' HD23 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -71.51 175.5 5.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 108.291 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 57' ' ' GLN . 0.2 OUTLIER -153.13 132.95 13.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -38.66 -34.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.584 ' HA ' HG13 ' A' ' 39' ' ' VAL . 4.3 m-80 -118.97 54.19 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.351 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.502 ' HG3' HG13 ' A' ' 58' ' ' VAL . 42.7 tp60 -64.39 -51.79 61.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.626 HG12 ' HA ' ' A' ' 73' ' ' GLN . 5.1 m -141.51 169.08 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.874 ' HB2' HD11 ' A' ' 74' ' ' LEU . 2.0 tt0 -122.57 110.56 15.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.52 HD11 HD21 ' A' ' 100' ' ' LEU . 0.6 OUTLIER -93.06 143.18 26.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.577 HG12 ' HB2' ' A' ' 37' ' ' ALA . 96.5 mt -140.23 119.03 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.894 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.42 122.57 23.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -119.3 88.38 37.66 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.02 8.2 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.788 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -69.16 -39.46 78.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.7 m -141.33 26.31 1.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.029 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.643 ' HB3' HD12 ' A' ' 96' ' ' LEU . 1.8 mpp_? 52.22 46.59 26.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.475 ' C ' HG23 ' A' ' 69' ' ' VAL . 1.5 p -120.73 176.02 5.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.417 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.475 HG23 ' C ' ' A' ' 68' ' ' THR . 87.2 t -156.14 126.43 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.71 144.78 25.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.595 HG11 HD11 ' A' ' 100' ' ' LEU . 94.8 t -130.32 111.17 20.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 9.0 ttmm -110.94 121.44 45.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.626 ' HA ' HG12 ' A' ' 58' ' ' VAL . 30.4 tt0 -76.84 121.27 23.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.874 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -118.14 -1.96 11.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -87.72 -137.7 5.57 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -126.21 -53.58 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.465 ' CB ' HG23 ' A' ' 103' ' ' VAL . 68.6 m-80 -63.74 139.28 97.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.36 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.44 ' HA ' ' OE1' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.95 124.97 9.05 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.491 1.785 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.62 159.17 18.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.965 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 88.9 m -116.46 107.27 14.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.382 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.772 HG13 ' CD1' ' A' ' 94' ' ' LEU . 46.0 t -90.92 85.38 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.69 -96.32 2.07 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.452 1.095 . . . . 0.0 110.97 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.1 p -132.91 18.6 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.442 0.73 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -125.06 138.77 54.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -85.32 136.17 33.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.256 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.42 HD11 HG21 ' A' ' 81' ' ' VAL . 11.4 mt -95.17 -172.31 2.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.456 ' HB2' HD22 ' A' ' 90' ' ' LEU . 1.1 mtpt -145.18 172.62 5.13 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 113.95 3.91 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.513 1.796 . . . . 0.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.65 3.65 62.49 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.456 HD22 ' HB2' ' A' ' 87' ' ' LYS . 5.5 tp -85.19 178.67 7.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.75 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.89 133.07 6.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -132.82 -168.82 12.07 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.7 p -128.15 150.37 50.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 0.737 . . . . 0.0 110.014 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.772 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -124.29 119.48 29.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.0 m -86.98 152.2 22.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.944 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.643 HD12 ' HB3' ' A' ' 67' ' ' ARG . 3.9 mt -50.53 103.55 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 123.69 -32.36 4.28 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.4 154.41 4.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 0.726 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.482 HG12 ' N ' ' A' ' 100' ' ' LEU . 67.5 t -100.89 164.37 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.595 HD11 HG11 ' A' ' 71' ' ' VAL . 60.7 tp -143.3 86.94 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 102' ' ' LEU . 87.7 m-85 -64.7 99.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.643 HD12 ' CD1' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -35.65 -58.14 0.62 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.556 HG22 ' H ' ' A' ' 104' ' ' ASN . 11.9 p -166.11 172.39 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.556 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.9 OUTLIER 40.11 46.09 1.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 37.84 28.87 0.04 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 104' ' ' ASN . 12.1 mt -123.78 -171.03 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.464 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 7.8 m-85 37.9 60.5 4.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.464 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.3 Cg_endo -74.96 174.05 13.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.541 1.811 . . . . 0.0 111.039 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.643 ' CD1' HD12 ' A' ' 102' ' ' LEU . 1.6 mp -153.76 135.5 14.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.3 m -98.78 126.35 44.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.393 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.598 HD11 HD22 ' A' ' 17' ' ' LEU . 26.6 tp -81.8 114.5 20.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -118.27 164.98 14.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.332 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.527 ' C ' ' CD1' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -137.17 135.49 37.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 108.034 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.456 ' N ' ' HE1' ' A' ' 18' ' ' TRP . 5.3 t -79.77 134.38 36.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -156.24 164.21 32.31 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.514 1.133 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 119.55 5.69 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.467 1.772 . . . . 0.0 111.007 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.87 91.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.001 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 17.3 t -141.59 -57.01 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.994 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.065 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.48 156.29 0.92 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 109.953 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.93 -58.32 1.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.013 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.56 -138.94 14.81 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.49 1.119 . . . . 0.0 111.027 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.7 p -54.24 114.47 1.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.753 . . . . 0.0 110.027 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -46.6 110.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 110.018 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.52 141.4 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -110.41 -55.88 2.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 110.993 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.6 t -61.37 147.39 44.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.2 91.14 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.7 mt -91.97 -54.45 3.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.79 -156.43 9.65 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 111.04 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.82 158.4 17.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 0.778 . . . . 0.0 110.027 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 60.26 164.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.504 ' HA3' ' CE2' ' A' ' 113' ' ' TRP . . . -60.97 178.2 3.66 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -134.34 128.61 34.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.762 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.439 HD22 HD11 ' A' ' 111' ' ' LEU . 6.9 mt -81.06 142.38 33.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.462 ' C ' HD13 ' A' ' 19' ' ' LEU . 62.1 p-90 -165.2 150.57 9.42 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.561 ' N ' HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -93.16 148.63 21.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -111.86 96.88 6.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 p -67.27 145.68 98.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.952 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 144.37 30.12 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.489 1.784 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.646 HG23 ' N ' ' A' ' 24' ' ' GLY . 0.5 OUTLIER 74.39 -179.38 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.383 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.646 ' N ' HG23 ' A' ' 23' ' ' THR . . . -80.96 41.28 2.58 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.87 -138.58 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 172.12 16.99 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.47 1.774 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.82 13.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.436 1.756 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 111.9 3.44 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.549 1.815 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.513 HD11 ' O ' ' A' ' 45' ' ' LEU . 3.1 mp -79.93 112.38 17.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -86.56 108.84 18.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.949 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 1.6 mt -62.37 162.06 21.8 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.758 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.4 Cg_endo -75.02 148.61 35.45 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.491 1.785 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -98.79 -21.56 16.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -56.11 -32.71 64.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.37 -8.07 5.94 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -48.45 176.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.807 ' HB1' ' HG3' ' A' ' 59' ' ' GLU . . . -129.39 120.18 25.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.9 tp -91.78 104.65 17.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.623 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.8 t -75.21 121.92 27.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -96.36 175.41 6.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.44 -151.06 23.17 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.475 1.109 . . . . 0.0 111.038 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -68.36 134.99 51.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 110.296 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.32 -173.83 28.19 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.453 1.096 . . . . 0.0 111.038 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -10.01 20.94 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.453 1.765 . . . . 0.0 110.954 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.513 ' O ' HD11 ' A' ' 29' ' ' ILE . 6.2 mp -54.16 -60.86 2.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.601 HG21 HD11 ' A' ' 102' ' ' LEU . 30.7 p -110.75 4.15 19.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 65.31 19.58 11.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 110.34 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.57 HG11 ' SG ' ' A' ' 53' ' ' CYS . 43.3 t -81.15 133.84 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 40.0 p -131.03 24.72 4.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.375 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 51' ' ' ARG . 27.2 t0 -82.38 134.78 35.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ARG . . . . . 0.42 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 60.9 mtt180 -60.39 -46.06 91.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -50.26 -31.1 13.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.356 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.57 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -70.61 135.79 48.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 108.327 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -112.29 133.09 54.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 110.015 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 54' ' ' SER . 9.5 mtt180 -37.6 -36.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.623 ' HA ' HG13 ' A' ' 39' ' ' VAL . 2.0 m120 -123.22 60.74 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -65.81 -46.89 76.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 110.337 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.435 HG12 ' HA ' ' A' ' 73' ' ' GLN . 4.6 m -146.56 158.44 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.905 ' HB2' HD11 ' A' ' 74' ' ' LEU . 10.5 tt0 -111.79 106.42 15.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 110.255 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mp -86.09 141.32 29.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.54 HG12 ' HB2' ' A' ' 37' ' ' ALA . 86.5 mt -137.84 119.29 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.949 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.02 130.74 40.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -129.81 85.02 59.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 0.79 8.49 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.467 1.772 . . . . 0.0 111.039 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -65.91 -32.59 74.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.273 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.46 ' O ' HG23 ' A' ' 68' ' ' THR . 58.2 m -152.16 35.38 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.4 mpp_? 45.02 67.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.334 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 66' ' ' SER . 1.5 p -144.61 177.27 8.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.392 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.445 HG23 ' C ' ' A' ' 68' ' ' THR . 89.2 t -154.1 138.5 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -100.26 143.44 30.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.521 HG21 ' CD1' ' A' ' 94' ' ' LEU . 94.1 t -128.59 123.17 59.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 4.7 ttpt -122.55 120.18 33.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.435 ' HA ' HG12 ' A' ' 58' ' ' VAL . 36.7 tt0 -76.35 116.95 17.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.905 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -118.37 8.23 12.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -99.06 -145.71 19.04 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.55 1.156 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -118.98 -50.44 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.432 ' HB3' HG23 ' A' ' 103' ' ' VAL . 57.8 m-80 -66.19 138.93 96.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 127.52 10.73 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.793 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.2 m -92.25 159.3 15.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.985 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 56.2 m -120.23 114.33 21.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.364 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.745 HG22 HD13 ' A' ' 100' ' ' LEU . 54.3 t -97.7 92.44 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.68 -94.22 1.97 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.428 ' O ' HG22 ' A' ' 83' ' ' VAL . 10.6 p -135.6 21.18 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 0.777 . . . . 0.0 109.247 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -125.21 143.7 50.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.79 135.3 34.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 86' ' ' LEU . 11.0 mt -95.6 -172.17 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.474 ' HB2' HD22 ' A' ' 90' ' ' LEU . 3.2 mttt -146.54 172.34 5.35 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 112.43 3.56 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.483 1.78 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.63 2.26 58.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.474 HD22 ' HB2' ' A' ' 87' ' ' LYS . 5.3 tp -84.61 -179.39 7.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.87 133.57 7.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -133.12 -171.08 12.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.2 m -128.55 154.07 46.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 109.975 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.701 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -128.78 122.35 30.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.2 m -93.83 172.85 7.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.049 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.691 HD11 ' HB3' ' A' ' 113' ' ' TRP . 3.5 mt -63.82 115.85 5.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 108.5 -38.12 3.48 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -44.03 161.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 109.319 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.471 HG12 ' N ' ' A' ' 100' ' ' LEU . 79.4 t -112.14 163.57 8.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.745 HD13 HG22 ' A' ' 81' ' ' VAL . 60.8 tp -144.93 89.4 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.479 ' O ' ' C ' ' A' ' 102' ' ' LEU . 95.1 m-85 -66.8 99.73 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.716 HD12 HD11 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -34.6 -60.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.544 HG22 ' H ' ' A' ' 104' ' ' ASN . 12.3 p -162.97 172.13 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.544 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.5 OUTLIER 41.24 40.61 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 42.83 24.52 0.26 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.477 1.111 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.425 ' N ' ' C ' ' A' ' 104' ' ' ASN . 26.0 mt -118.75 -170.18 1.86 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 0.766 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.51 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 9.2 m-85 38.11 58.26 4.92 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.51 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.1 Cg_endo -75.0 177.12 9.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.514 1.797 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.716 HD11 HD12 ' A' ' 102' ' ' LEU . 4.7 mp -151.97 162.94 40.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 46.4 m -121.92 119.09 30.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.432 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.446 ' O ' HD23 ' A' ' 96' ' ' LEU . 21.3 tp -73.37 116.77 14.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.123 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -117.85 169.46 9.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.691 ' HB3' HD11 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -144.91 127.69 16.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 108.057 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.485 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 28.6 t -73.86 149.37 41.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.026 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -157.88 177.87 34.44 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 115.27 4.24 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 29.8 m -167.98 -65.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.025 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 29.6 t 43.66 91.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.013 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 t -97.1 84.26 3.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 109.995 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.7 154.87 17.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.032 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.5 60.87 0.17 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.3 m -145.02 146.19 31.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 0.744 . . . . 0.0 110.066 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.1 m 63.42 166.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.027 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.32 177.62 19.04 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.138 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.93 124.22 1.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 0.793 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t -104.98 -61.33 1.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.019 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -176.21 95.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 110.31 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.7 mt 63.31 141.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.6 -135.81 5.77 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.552 1.158 . . . . 0.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.3 m 59.06 172.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.756 . . . . 0.0 109.98 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -117.28 173.0 6.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 110.273 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.564 ' HA3' ' CZ2' ' A' ' 113' ' ' TRP . . . -51.32 166.78 0.69 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.448 1.092 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -148.34 128.38 13.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 110.303 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.663 HD22 HD11 ' A' ' 111' ' ' LEU . 4.2 mt -83.03 143.7 30.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.437 ' CB ' ' O ' ' A' ' 29' ' ' ILE . 38.0 p-90 -165.78 164.26 18.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 107.976 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.836 ' CD2' HD21 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -98.95 145.32 27.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -117.11 102.97 9.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.77 148.2 75.63 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.006 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 23' ' ' THR . 18.3 Cg_endo -75.0 170.9 19.4 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.794 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 22' ' ' PRO . 21.9 m -38.63 153.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.392 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 51.22 61.07 6.54 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.448 1.092 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.15 -178.36 28.5 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.448 ' CD ' ' HG3' ' A' ' 47' ' ' GLN . 18.4 Cg_endo -75.02 172.51 16.24 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.803 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 173.12 15.05 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.485 1.781 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 116.71 4.67 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 110.962 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.465 HD11 ' O ' ' A' ' 45' ' ' LEU . 2.5 mp -81.27 135.67 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -99.6 102.3 13.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.868 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 1.5 mt -60.95 160.29 21.74 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.648 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.3 Cg_endo -75.04 163.86 34.41 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.513 1.797 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.432 ' C ' ' N ' ' A' ' 35' ' ' GLY . 4.2 p -110.4 -36.69 5.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.982 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -41.54 -29.7 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.432 ' N ' ' C ' ' A' ' 33' ' ' SER . . . 118.95 5.31 11.96 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.452 ' O ' HG23 ' A' ' 61' ' ' ILE . 32.0 mt-30 -62.13 164.84 6.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 0.744 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.735 ' HB1' ' HG2' ' A' ' 59' ' ' GLU . . . -110.06 118.0 35.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.5 HD23 HD22 ' A' ' 31' ' ' LEU . 16.9 tp -91.26 104.81 17.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.445 HG13 ' HA ' ' A' ' 56' ' ' ASN . 0.9 OUTLIER -71.83 147.5 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.641 HD12 HD13 ' A' ' 60' ' ' LEU . 14.6 mt -127.91 173.82 9.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.465 ' HA2' ' CD2' ' A' ' 102' ' ' LEU . . . 148.48 -150.1 22.22 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -63.07 137.75 58.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 0.728 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 142.87 -175.97 22.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -13.5 21.23 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.502 1.79 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.465 ' O ' HD11 ' A' ' 29' ' ' ILE . 2.7 mt -52.86 -57.35 10.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.817 HG21 HD11 ' A' ' 102' ' ' LEU . 81.3 p -112.66 9.71 19.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.368 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.448 ' HG3' ' CD ' ' A' ' 26' ' ' PRO . 3.6 mm-40 57.61 26.11 12.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.579 HG11 ' SG ' ' A' ' 53' ' ' CYS . 69.8 t -91.42 131.15 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.0 p -128.03 24.07 6.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.438 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.05 127.91 35.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.3 mmm-85 -52.18 -45.45 65.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -50.94 -23.18 2.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.579 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -88.06 109.32 19.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 108.31 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.05 139.48 30.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 55' ' ' ARG . 27.9 mtm105 -37.97 -33.72 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.122 . . . . 0.0 110.317 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.445 ' HA ' HG13 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -124.65 57.44 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -64.76 -41.45 95.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -144.93 175.58 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 0.0 109.246 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.861 ' HB2' HD11 ' A' ' 74' ' ' LEU . 25.8 tt0 -132.02 111.04 11.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.804 HD21 HD23 ' A' ' 100' ' ' LEU . 4.1 mp -95.87 137.09 35.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.728 ' O ' HG13 ' A' ' 69' ' ' VAL . 2.3 mp -134.21 121.7 38.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.868 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.75 121.82 22.33 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -121.47 86.46 44.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 0.49 8.84 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.489 1.784 . . . . 0.0 110.959 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.73 -40.95 98.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.258 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 m -142.77 36.81 1.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.995 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.639 ' HB3' HD12 ' A' ' 96' ' ' LEU . 7.7 mtp180 45.36 62.81 2.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.55 176.72 9.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.366 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.728 HG13 ' O ' ' A' ' 61' ' ' ILE . 97.4 t -150.18 137.68 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -93.13 144.96 24.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.716 HG21 HD13 ' A' ' 94' ' ' LEU . 23.1 t -132.41 116.55 28.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -117.69 126.82 53.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.42 ' HG2' ' HA ' ' A' ' 88' ' ' PRO . 32.1 tt0 -80.94 114.53 19.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.861 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -116.29 -4.14 11.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.96 -140.04 6.06 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.552 1.157 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.3 p -127.67 -52.99 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.509 ' HB3' HG23 ' A' ' 103' ' ' VAL . 4.7 m-80 -60.13 143.74 88.06 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 122.46 7.23 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.798 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.1 m -89.92 158.99 17.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.943 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 88.4 m -122.63 114.55 20.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.4 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.771 HG13 ' CD1' ' A' ' 94' ' ' LEU . 40.0 t -96.1 87.89 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.09 -93.66 1.92 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.432 ' O ' HG22 ' A' ' 83' ' ' VAL . 10.9 p -134.02 19.54 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 0.766 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.417 ' HG2' ' N ' ' A' ' 85' ' ' GLU . 0.6 OUTLIER -124.9 136.41 53.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.417 ' N ' ' HG2' ' A' ' 84' ' ' GLN . 0.2 OUTLIER -83.82 141.68 31.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.31 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.1 mt -101.66 -172.25 2.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.541 ' HB2' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -148.05 172.85 4.72 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.42 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -75.06 114.55 4.05 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.531 1.806 . . . . 0.0 111.034 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.68 3.68 62.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.541 HD22 ' HB2' ' A' ' 87' ' ' LYS . 5.2 tp -85.01 -178.69 6.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 0.775 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.79 133.4 7.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.174 . . . . 0.0 109.981 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -133.21 -172.68 13.04 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 24.4 p -132.62 146.08 51.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.764 . . . . 0.0 110.044 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.771 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -116.18 130.35 56.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.4 m -94.26 161.62 14.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.127 . . . . 0.0 109.997 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.639 HD12 ' HB3' ' A' ' 67' ' ' ARG . 3.6 mt -59.59 107.93 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 112.83 -23.23 15.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -61.2 157.29 16.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.506 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 80.7 t -105.8 162.01 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.804 HD23 HD21 ' A' ' 60' ' ' LEU . 24.9 tp -144.7 85.73 1.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 102' ' ' LEU . 99.7 m-85 -62.1 99.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.817 HD11 HG21 ' A' ' 46' ' ' THR . 0.0 OUTLIER -37.99 -59.0 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.567 HG22 ' H ' ' A' ' 104' ' ' ASN . 12.9 p -159.58 172.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.078 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.567 ' H ' HG22 ' A' ' 103' ' ' VAL . 1.4 m120 39.7 45.6 1.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 104' ' ' ASN . . . 37.05 30.23 0.04 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 104' ' ' ASN . 11.7 mt -122.26 -172.02 2.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.315 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.472 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 5.8 m-85 42.05 60.21 9.36 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.506 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.2 Cg_endo -75.0 134.17 17.47 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.545 1.813 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.694 ' CD2' HD12 ' A' ' 102' ' ' LEU . 4.1 mm? -110.56 113.25 25.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 13.4 m -85.45 121.02 27.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.408 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.663 HD11 HD22 ' A' ' 17' ' ' LEU . 18.7 tp -76.24 124.36 27.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -122.83 162.2 22.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.564 ' CZ2' ' HA3' ' A' ' 15' ' ' GLY . 0.7 OUTLIER -132.28 128.82 38.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 107.986 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.1 t -75.41 134.7 40.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.957 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 165.89 165.23 22.89 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 147.24 33.61 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.541 1.811 . . . . 0.0 111.053 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.71 117.95 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.9 t -158.5 -58.52 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 109.978 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.0 m 62.15 164.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.043 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 t -143.45 -60.61 0.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.68 164.73 33.87 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.85 159.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 0.795 . . . . 0.0 110.074 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 t -111.92 -58.39 2.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.977 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.09 -169.7 28.78 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.0 mmm -131.07 -55.77 1.04 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.762 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.2 p -98.7 101.41 12.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.006 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.01 89.9 1.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 76.0 mt -70.65 -60.64 2.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.6 66.2 0.03 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.116 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.0 t 65.42 132.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 0.774 . . . . 0.0 110.037 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -87.23 175.63 7.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.555 ' HA3' ' CZ2' ' A' ' 113' ' ' TRP . . . -57.92 159.09 14.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.35 131.69 20.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 0.763 . . . . 0.0 110.333 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.815 HD22 HD11 ' A' ' 111' ' ' LEU . 5.4 mt -84.23 143.53 29.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 48.7 p-90 -166.85 155.57 10.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 108.0 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.699 ' CD2' HD21 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -92.98 149.04 21.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -118.76 99.69 6.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.331 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' SER . . . . . 0.468 ' CB ' ' HD2' ' A' ' 26' ' ' PRO . 0.6 OUTLIER -73.84 143.66 81.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 171.5 18.19 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.525 1.802 . . . . 0.0 110.97 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.733 HG22 ' O ' ' A' ' 23' ' ' THR . 2.9 m 44.87 37.36 2.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 25' ' ' GLY . . . 69.5 -52.71 0.65 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.127 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 24' ' ' GLY . . . 37.3 -140.11 0.38 Allowed Glycine 0 CA--C 1.531 1.031 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.468 ' HD2' ' CB ' ' A' ' 21' ' ' SER . 18.3 Cg_endo -74.98 173.8 13.87 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 166.53 28.98 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 110.97 3.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.447 1.762 . . . . 0.0 110.973 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 mp -78.68 118.47 26.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -84.08 105.37 14.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.89 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 3.7 mt -60.67 157.44 37.96 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.528 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.1 Cg_endo -75.07 134.87 18.22 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.515 1.798 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 61.3 p -84.78 -30.47 24.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 110.008 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.28 -32.98 11.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.47 -7.93 7.9 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 0.0 111.047 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -46.73 170.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.896 ' HB1' ' CG ' ' A' ' 59' ' ' GLU . . . -118.55 121.32 39.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 38' ' ' LEU . 8.2 tp -91.04 101.38 14.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.672 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.6 t -70.81 115.2 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.517 HD22 HD13 ' A' ' 60' ' ' LEU . 1.1 mp -93.11 174.05 7.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 137.96 -162.38 25.59 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.472 1.107 . . . . 0.0 110.965 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -48.71 147.77 2.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 0.793 . . . . 0.0 110.333 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 129.82 178.89 15.65 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.459 1.099 . . . . 0.0 111.035 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -1.56 11.39 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.52 1.8 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.1 mp -60.27 -61.13 2.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.527 HG21 HD11 ' A' ' 102' ' ' LEU . 54.8 p -112.11 4.22 17.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.41 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 65.55 25.87 11.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.805 HG11 ' SG ' ' A' ' 53' ' ' CYS . 24.9 t -85.63 130.73 35.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 50' ' ' ASP . 44.1 p -116.82 -30.17 5.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' THR . 51.5 t0 -39.58 124.46 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.564 1.165 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -59.77 -29.06 67.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -59.54 -16.48 25.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.805 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -90.24 121.99 32.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 108.302 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -97.81 136.88 37.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.956 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.69 -32.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.672 ' HA ' HG13 ' A' ' 39' ' ' VAL . 1.2 p30 -123.68 54.85 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.554 ' O ' HG13 ' A' ' 58' ' ' VAL . 46.4 tp60 -65.5 -34.51 78.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.554 HG13 ' O ' ' A' ' 57' ' ' GLN . 3.6 m -155.64 158.09 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.917 ' HB2' HD11 ' A' ' 74' ' ' LEU . 18.0 tt0 -116.71 104.0 10.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.517 HD13 HD22 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -87.08 139.14 30.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.45 HD11 ' HB2' ' A' ' 37' ' ' ALA . 38.9 mt -136.63 119.44 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.89 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.51 125.1 27.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.97 87.98 44.1 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 0.68 8.61 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.577 1.83 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.33 -46.52 79.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.355 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.1 m -138.21 30.1 2.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.023 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.619 ' HB3' HD12 ' A' ' 96' ' ' LEU . 1.7 mpt_? 52.59 50.24 18.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.7 p -124.79 177.02 6.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.394 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.489 ' CG2' HD22 ' A' ' 111' ' ' LEU . 84.9 t -150.76 141.37 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -104.48 138.05 41.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.513 HG21 HD13 ' A' ' 94' ' ' LEU . 48.9 t -131.52 128.19 60.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -129.22 122.99 30.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.442 ' OE1' ' HA ' ' A' ' 78' ' ' PRO . 32.2 tt0 -72.75 119.98 17.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.917 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -121.09 9.74 10.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -104.22 -150.33 20.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.096 . . . . 0.0 111.013 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 77' ' ' ASN . 13.5 p -112.49 -51.64 5.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.529 0.782 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.51 ' N ' HG13 ' A' ' 76' ' ' VAL . 33.2 m-80 -65.07 141.2 98.27 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.442 ' HA ' ' OE1' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -75.0 133.12 16.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.788 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.9 m -97.53 159.51 14.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.6 m -121.09 109.56 15.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.38 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.861 HG22 HD13 ' A' ' 100' ' ' LEU . 11.1 t -92.9 80.5 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 100.04 -96.6 1.64 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.4 p -133.75 19.47 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 0.769 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -125.1 140.09 53.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -84.58 142.41 29.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 86' ' ' LEU . 12.7 mt -102.85 -176.62 3.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 73' ' ' GLN . 7.9 mttt -141.19 172.13 6.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 110.28 3.09 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.32 2.48 56.72 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.521 1.138 . . . . 0.0 110.959 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 90' ' ' LEU . 6.2 tp -87.06 167.25 14.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.792 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.13 138.7 28.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -135.44 -169.27 11.81 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 69' ' ' VAL . 36.5 m -134.75 153.75 51.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 0.0 109.965 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.813 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -126.02 130.74 51.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.0 m -95.67 165.29 12.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.619 HD12 ' HB3' ' A' ' 67' ' ' ARG . 4.0 mt -61.19 105.16 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 116.67 -24.84 9.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.499 1.125 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.76 152.42 22.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 0.752 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.494 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 97.6 t -101.33 162.91 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.861 HD13 HG22 ' A' ' 81' ' ' VAL . 39.7 tp -144.95 84.49 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.409 ' O ' ' C ' ' A' ' 102' ' ' LEU . 99.3 m-85 -60.66 100.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.625 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -38.19 -58.73 0.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.594 HG22 ' H ' ' A' ' 104' ' ' ASN . 7.4 p -162.59 173.88 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.594 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.5 OUTLIER 42.94 36.59 0.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 46.26 23.43 1.21 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 30.8 mt -119.82 -171.55 2.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.475 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 2.5 m-85 43.47 59.83 11.56 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.494 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.2 Cg_endo -75.05 133.97 17.17 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 0.0 110.957 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.625 ' CD2' HD12 ' A' ' 102' ' ' LEU . 4.1 mm? -111.09 104.35 12.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.416 ' O ' ' HA ' ' A' ' 19' ' ' LEU . 3.1 m -77.92 129.42 35.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.423 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.815 HD11 HD22 ' A' ' 17' ' ' LEU . 10.2 tp -81.52 130.79 35.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.506 ' N ' HD12 ' A' ' 111' ' ' LEU . 23.0 mmt180 -129.25 165.9 20.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.555 ' CZ2' ' HA3' ' A' ' 15' ' ' GLY . 2.3 t-105 -141.64 127.07 18.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 108.007 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.444 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 3.5 t -75.03 149.6 39.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -161.34 165.47 35.47 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 57.09 4.43 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.798 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 52.9 m 42.25 88.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.51 132.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.022 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 t -160.64 -58.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 109.988 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 m 61.08 106.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.039 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.59 -126.95 1.59 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.125 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.16 118.13 31.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 0.787 . . . . 0.0 109.982 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.1 p -178.03 168.97 1.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 109.976 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.52 -91.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.88 155.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 0.784 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 t 65.46 160.98 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.964 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -126.98 100.43 6.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.334 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mt -63.26 125.2 23.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.6 -113.84 0.4 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.533 1.146 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 86.3 p -117.53 171.39 8.03 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 0.773 . . . . 0.0 110.02 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -87.04 -1.77 58.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.517 ' HA3' ' CE2' ' A' ' 113' ' ' TRP . . . 176.0 176.5 44.27 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -129.3 137.53 51.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.757 . . . . 0.0 110.254 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mt -83.58 144.17 29.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TRP . . . . . 0.486 ' C ' HD13 ' A' ' 19' ' ' LEU . 50.6 p-90 -163.99 163.52 23.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 108.001 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.73 HD21 HD21 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -104.28 146.21 29.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -111.54 93.48 4.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 p -67.42 143.2 97.05 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.974 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.418 ' O ' HG22 ' A' ' 23' ' ' THR . 18.3 Cg_endo -75.03 164.6 32.99 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.475 1.776 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.597 ' O ' HG23 ' A' ' 23' ' ' THR . 0.5 OUTLIER 58.45 15.64 3.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.418 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 25' ' ' GLY . . . 68.79 -54.99 0.52 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 24' ' ' GLY . . . 36.07 -119.38 0.47 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 172.66 15.92 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.448 1.762 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 172.66 15.91 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.478 1.778 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 118.45 5.27 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.524 1.802 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 mp -79.97 113.04 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.076 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -87.21 108.96 19.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.864 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 3.2 mt -62.51 153.89 75.24 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.632 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.3 Cg_endo -74.99 164.11 34.03 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.504 1.791 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.426 ' C ' ' N ' ' A' ' 35' ' ' GLY . 96.6 p -107.04 -35.36 6.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.976 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -43.91 -27.36 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.426 ' N ' ' C ' ' A' ' 33' ' ' SER . . . 114.12 5.2 21.82 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -58.94 169.73 0.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.929 ' HB1' ' CG ' ' A' ' 59' ' ' GLU . . . -115.28 117.78 31.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 60' ' ' LEU . 9.0 tp -90.99 106.38 18.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.663 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.7 t -74.0 134.91 28.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.52 HD12 HD13 ' A' ' 60' ' ' LEU . 13.5 mt -117.21 163.74 15.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.74 -147.59 16.9 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.458 1.099 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -65.12 141.6 58.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 0.742 . . . . 0.0 110.269 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.84 -173.87 22.96 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -7.69 19.4 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.783 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.3 mp -54.91 -61.67 2.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.143 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.696 ' OG1' HG23 ' A' ' 48' ' ' VAL . 15.5 p -112.14 6.89 19.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 65.12 14.96 9.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.696 HG23 ' OG1' ' A' ' 46' ' ' THR . 53.0 t -75.71 133.95 30.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.6 p -128.37 10.04 6.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.398 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -69.31 128.61 37.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.5 mtt85 -58.01 -44.29 87.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -49.53 -26.75 3.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.431 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -76.94 142.05 40.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 108.283 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -119.78 133.63 55.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -38.12 -32.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.663 ' HA ' HG13 ' A' ' 39' ' ' VAL . 2.5 p30 -126.1 61.29 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.718 ' HG3' HG13 ' A' ' 58' ' ' VAL . 35.9 tp60 -69.49 -50.41 45.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.718 HG13 ' HG3' ' A' ' 57' ' ' GLN . 15.9 m -140.8 154.27 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.929 ' CG ' ' HB1' ' A' ' 37' ' ' ALA . 30.0 tt0 -107.91 114.22 27.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.52 HD13 HD12 ' A' ' 40' ' ' LEU . 3.8 mp -95.59 139.92 31.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.434 ' CG1' ' HA ' ' A' ' 37' ' ' ALA . 16.9 mt -138.59 121.45 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.864 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.46 129.06 37.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.33 87.75 53.64 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 0.59 8.76 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.53 1.805 . . . . 0.0 110.975 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.7 -39.73 84.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.263 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.464 ' O ' HG23 ' A' ' 68' ' ' THR . 26.5 m -142.6 30.96 1.49 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.98 59.05 4.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 66' ' ' SER . 2.0 p -135.59 176.3 8.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.368 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 61' ' ' ILE . 99.0 t -149.05 127.94 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.43 142.76 27.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.527 HG21 ' CD1' ' A' ' 94' ' ' LEU . 69.1 t -128.59 130.24 68.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.443 ' HG2' HD21 ' A' ' 74' ' ' LEU . 4.4 ttpp -132.5 121.16 22.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.4 ' OE1' ' HA ' ' A' ' 78' ' ' PRO . 36.4 tt0 -78.26 120.16 22.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.878 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -120.59 0.06 10.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.88 -128.28 1.81 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.402 HG13 ' N ' ' A' ' 77' ' ' ASN . 2.7 p -137.07 -52.52 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.402 ' N ' HG13 ' A' ' 76' ' ' VAL . 53.8 m-80 -66.36 142.37 97.73 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PRO . . . . . 0.4 ' HA ' ' OE1' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -74.98 125.09 9.11 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.781 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 86' ' ' LEU . 4.1 m -93.68 159.26 15.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 110.002 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.482 ' HB ' ' CD2' ' A' ' 101' ' ' TYR . 53.4 m -117.54 116.72 27.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.388 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.762 HG22 HD13 ' A' ' 100' ' ' LEU . 21.3 t -97.77 85.77 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.56 -94.24 1.75 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.414 ' O ' HG22 ' A' ' 83' ' ' VAL . 10.6 p -133.7 16.81 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.59 0.818 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -124.74 141.25 52.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -86.9 147.83 25.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 79' ' ' SER . 12.6 mt -108.38 -172.77 2.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.47 ' HB2' HD22 ' A' ' 90' ' ' LEU . 7.9 mttt -144.35 172.02 6.0 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 112.31 3.53 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.55 1.816 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 98.18 0.66 58.39 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.47 HD22 ' HB2' ' A' ' 87' ' ' LYS . 4.8 tp -82.92 -177.87 6.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 0.741 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -159.29 133.24 7.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.046 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -130.78 -168.82 12.32 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 57.8 p -133.22 151.85 51.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.763 . . . . 0.0 109.985 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.681 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -127.11 129.51 48.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.9 m -100.75 166.32 10.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.962 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.639 HD21 ' CB ' ' A' ' 113' ' ' TRP . 5.3 mt -59.39 104.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 120.07 -33.52 4.52 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.82 155.43 1.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 0.742 . . . . 0.0 109.232 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 100' ' ' LEU . 94.3 t -104.58 161.26 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.762 HD13 HG22 ' A' ' 81' ' ' VAL . 60.9 tp -142.35 89.09 2.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.482 ' CD2' ' HB ' ' A' ' 80' ' ' THR . 90.4 m-85 -65.11 100.11 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.751 HD12 HD11 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -35.29 -58.61 0.56 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.55 HG22 ' H ' ' A' ' 104' ' ' ASN . 12.8 p -165.95 172.36 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.55 ' H ' HG22 ' A' ' 103' ' ' VAL . 1.1 m120 40.43 45.91 1.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 37.16 29.72 0.04 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 106' ' ' LEU . 11.7 mt -124.36 -170.78 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.507 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 9.7 m-85 38.64 58.16 5.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.55 ' C ' HD12 ' A' ' 109' ' ' LEU . 18.2 Cg_endo -75.01 172.79 15.68 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.435 1.755 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.751 HD11 HD12 ' A' ' 102' ' ' LEU . 5.6 mp -146.2 171.07 15.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.8 m -131.07 115.71 16.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.4 tp -70.41 113.0 7.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.452 ' HB2' ' CZ3' ' A' ' 18' ' ' TRP . 30.1 mmt180 -115.38 160.17 20.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.639 ' CB ' HD21 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -131.59 137.74 48.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 108.025 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.3 t -83.92 131.15 34.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.983 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -174.07 -144.93 5.0 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 87.46 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.45 1.763 . . . . 0.0 110.962 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.99 141.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.974 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.36 153.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.7 174.34 0.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.756 . . . . 0.0 110.014 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.9 p -39.92 -62.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.04 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.68 82.66 0.04 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.456 1.098 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t 75.8 130.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 0.799 . . . . 0.0 110.015 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.0 p -154.93 76.58 1.0 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.968 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.34 167.24 13.39 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.19 147.15 6.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 0.795 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.7 164.4 29.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -173.29 59.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.44 173.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 58.09 -96.81 0.07 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.496 1.122 . . . . 0.0 111.028 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 t 67.6 168.38 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.04 -179.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 110.31 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.404 ' HA3' ' CZ2' ' A' ' 113' ' ' TRP . . . -139.51 -164.61 9.96 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.137 . . . . 0.0 111.03 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.11 139.73 23.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 0.0 110.322 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.738 HD22 HD11 ' A' ' 111' ' ' LEU . 1.2 mt -82.21 159.01 23.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 36.0 p-90 -166.97 158.49 12.49 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.926 ' CD2' HD21 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -97.24 150.94 20.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -122.68 109.79 14.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.0 145.36 73.65 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.1 18.98 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.456 1.766 . . . . 0.0 111.04 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.742 HG22 ' O ' ' A' ' 23' ' ' THR . 2.8 m 41.5 38.14 0.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.412 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 25' ' ' GLY . . . 69.45 -52.67 0.64 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 24' ' ' GLY . . . 36.56 -140.92 0.24 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 174.01 13.53 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.422 1.748 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 161.51 38.71 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 131.68 14.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.472 1.775 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.2 mp -99.15 118.89 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -85.46 112.43 20.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.972 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.95 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 1.0 OUTLIER -62.82 162.2 23.39 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 112.42 3.56 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m -66.1 -28.01 68.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -47.35 -31.87 4.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.66 -7.45 8.93 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 111.023 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -53.84 177.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.567 ' HB2' HG12 ' A' ' 61' ' ' ILE . . . -123.29 121.55 36.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 38' ' ' LEU . 5.9 tp -91.3 129.1 37.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.691 HG13 ' HA ' ' A' ' 56' ' ' ASN . 2.1 t -96.1 116.22 37.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 1.024 HD23 HD13 ' A' ' 60' ' ' LEU . 1.9 mm? -99.41 167.76 10.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.412 ' HA2' HD21 ' A' ' 102' ' ' LEU . . . 147.72 -155.44 26.47 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -58.36 149.3 25.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 110.256 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 123.7 -170.51 15.98 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.421 1.076 . . . . 0.0 110.947 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' PRO . . . . . 0.595 ' HA ' ' NE2' ' A' ' 47' ' ' GLN . 18.3 Cg_endo -74.99 0.56 8.75 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.534 1.807 . . . . 0.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.79 -62.26 2.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.426 HG23 HD12 ' A' ' 40' ' ' LEU . 66.3 p -121.4 19.66 11.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.424 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLN . . . . . 0.595 ' NE2' ' HA ' ' A' ' 44' ' ' PRO . 1.9 mp0 57.0 21.38 6.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.525 HG11 ' SG ' ' A' ' 53' ' ' CYS . 54.1 t -83.26 131.27 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.7 p -132.59 29.09 4.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.389 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -87.5 132.84 33.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -58.61 -41.05 84.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.429 ' O ' ' ND2' ' A' ' 77' ' ' ASN . 11.2 mttt -55.1 -27.24 43.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.525 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -78.15 163.5 25.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 108.301 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -144.46 139.14 28.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.991 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 54' ' ' SER . 3.8 mtm180 -38.38 -37.2 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.691 ' HA ' HG13 ' A' ' 39' ' ' VAL . 1.0 OUTLIER -123.6 64.3 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -72.72 -37.46 67.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.7 m -150.23 163.55 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.989 ' HB2' HD11 ' A' ' 74' ' ' LEU . 1.3 tt0 -119.26 110.61 17.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 1.024 HD13 HD23 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -93.92 144.64 25.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.607 ' O ' HG13 ' A' ' 69' ' ' VAL . 58.9 mt -141.64 118.16 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.95 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.67 129.79 38.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.418 ' OD1' HG22 ' A' ' 61' ' ' ILE . 11.2 m-20 -127.67 86.03 59.36 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.57 8.75 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.7 -45.19 62.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.567 ' O ' HG23 ' A' ' 68' ' ' THR . 0.6 OUTLIER -133.11 29.66 4.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.569 ' HD2' ' CE3' ' A' ' 113' ' ' TRP . 35.5 mmt-85 45.12 55.98 5.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 66' ' ' SER . 2.1 p -134.32 176.83 8.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 110.361 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.607 HG13 ' O ' ' A' ' 61' ' ' ILE . 89.2 t -154.9 138.78 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -100.91 140.31 35.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.077 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.662 HG21 HD13 ' A' ' 94' ' ' LEU . 69.1 t -124.82 114.81 42.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -115.37 120.46 39.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.412 ' HG2' ' HA ' ' A' ' 88' ' ' PRO . 31.0 tt0 -74.98 122.33 23.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 110.328 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.989 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -119.52 0.33 11.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.21 -141.89 11.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -123.44 -52.34 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 52' ' ' LYS . 62.2 m-80 -60.2 140.62 91.13 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 121.85 6.82 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.786 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.5 m -91.14 159.2 16.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.959 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.0 m -120.41 116.71 26.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.393 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.784 HG13 ' CD1' ' A' ' 94' ' ' LEU . 24.2 t -95.55 79.99 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 98.65 -97.39 1.87 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.7 p -129.73 18.39 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -125.15 139.75 53.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -87.59 134.3 33.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 86' ' ' LEU . 11.0 mt -95.27 -172.05 2.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.477 ' HB2' HD22 ' A' ' 90' ' ' LEU . 0.8 OUTLIER -143.63 172.69 5.27 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.412 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.92 114.26 3.99 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.487 1.783 . . . . 0.0 111.022 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.6 3.56 62.63 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.477 HD22 ' HB2' ' A' ' 87' ' ' LYS . 5.3 tp -85.9 -179.43 6.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.62 132.79 6.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.019 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.86 -168.71 12.17 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.2 p -129.18 151.78 49.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.754 . . . . 0.0 110.03 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.784 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -125.19 116.86 22.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.4 m -87.82 152.31 22.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.043 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 mt -47.59 109.86 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 114.92 -27.73 8.49 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.51 150.27 23.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 0.755 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.501 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 58.7 t -100.76 162.13 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.597 HD13 HG22 ' A' ' 81' ' ' VAL . 24.4 tp -141.14 84.45 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.436 ' O ' ' C ' ' A' ' 102' ' ' LEU . 93.7 m-85 -60.73 99.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.724 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -37.76 -58.07 0.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.588 HG22 ' H ' ' A' ' 104' ' ' ASN . 7.2 p -163.84 173.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.588 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.5 OUTLIER 42.81 36.24 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 47.06 22.7 1.36 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.455 1.097 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 40.8 mt -119.29 -171.25 2.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 0.765 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.458 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 3.5 m-85 42.72 61.01 9.71 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.501 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.2 Cg_endo -75.08 135.66 19.21 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.453 1.765 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.724 ' CD2' HD12 ' A' ' 102' ' ' LEU . 4.0 mm? -114.99 94.8 4.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 19' ' ' LEU . 64.6 m -67.7 136.48 54.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.429 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.738 HD11 HD22 ' A' ' 17' ' ' LEU . 16.2 tp -84.77 131.76 34.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -132.93 166.12 23.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.569 ' CE3' ' HD2' ' A' ' 67' ' ' ARG . 11.8 t-105 -126.43 145.28 50.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 108.019 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.408 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 23.4 t -90.27 134.76 34.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 110.008 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 168.7 -170.25 42.19 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 99.24 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.6 t -173.7 166.68 4.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.051 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.2 m 63.44 154.77 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 t -176.05 -58.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 110.034 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 p -88.14 163.99 15.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 109.984 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.12 130.4 18.84 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.5 p -123.88 125.56 44.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 110.012 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.3 t -113.49 -58.04 2.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.055 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.45 164.36 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.65 -55.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 0.753 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 10' ' ' GLN . 0.1 OUTLIER 173.73 143.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.02 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.407 ' O ' ' O ' ' A' ' 9' ' ' SER . 31.9 mt-30 -48.06 -97.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.351 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 10' ' ' GLN . 49.3 mt -40.09 121.05 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.96 -76.25 0.25 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.547 1.154 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 76.6 p -40.57 135.21 1.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.426 0.721 . . . . 0.0 110.02 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.6 mtt85 -87.52 157.89 19.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.262 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.453 ' HA3' ' CZ2' ' A' ' 113' ' ' TRP . . . -57.45 173.65 2.32 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.8 mmt85 -141.11 129.28 22.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.77 . . . . 0.0 110.257 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 mt -81.15 144.6 31.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -166.96 158.45 12.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 108.035 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.498 ' HG ' HD21 ' A' ' 31' ' ' LEU . 14.2 mt -98.92 143.64 29.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 11.2 tt0 -111.36 101.79 10.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.327 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.82 148.36 89.58 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 163.18 35.97 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.49 1.784 . . . . 0.0 111.054 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.9 m -40.77 156.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 110.388 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.34 49.77 66.58 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -152.03 -173.86 22.1 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 173.59 14.26 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.465 1.771 . . . . 0.0 110.985 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 173.62 14.19 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.525 1.802 . . . . 0.0 110.985 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 111.72 3.39 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.45 1.763 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.8 mp -83.87 145.27 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -103.92 109.89 21.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.87 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 2.3 mt -60.01 159.56 20.19 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 125.04 9.06 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.537 1.809 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -81.18 -29.39 34.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -47.82 -26.93 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.97 -9.69 11.27 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.546 1.154 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -48.14 175.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 0.783 . . . . 0.0 110.298 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.716 ' HB1' ' CG ' ' A' ' 59' ' ' GLU . . . -123.81 118.84 28.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 38' ' ' LEU . 11.1 tp -93.16 106.36 18.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.588 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.7 t -76.53 122.46 30.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.733 HD23 HD11 ' A' ' 102' ' ' LEU . 1.0 OUTLIER -96.44 174.07 7.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.13 -155.07 26.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -69.7 139.48 53.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.776 . . . . 0.0 110.331 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.88 -174.9 24.07 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -7.65 19.39 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.447 1.761 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.4 mp -56.06 -60.58 3.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.419 ' OG1' HG23 ' A' ' 48' ' ' VAL . 28.1 p -112.57 6.21 18.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 65.66 14.92 9.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.426 HG11 ' SG ' ' A' ' 53' ' ' CYS . 25.2 t -75.9 132.09 33.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 45.9 p -131.8 27.53 4.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.429 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -88.49 129.86 35.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.227 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.74 -45.44 78.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -48.22 -30.32 4.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.478 ' SG ' HD22 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -76.97 150.95 35.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.31 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -126.87 136.38 52.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 0.0 110.031 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -38.43 -30.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.588 ' HA ' HG13 ' A' ' 39' ' ' VAL . 2.4 m120 -130.52 62.31 1.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.75 ' HG3' HG13 ' A' ' 58' ' ' VAL . 34.6 tp60 -67.28 -58.12 5.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.75 HG13 ' HG3' ' A' ' 57' ' ' GLN . 20.5 m -136.9 163.45 32.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 1.017 ' HB2' HD11 ' A' ' 74' ' ' LEU . 15.9 tt0 -115.51 113.55 23.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.821 HD21 HD23 ' A' ' 100' ' ' LEU . 0.6 OUTLIER -94.09 138.73 31.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.619 ' O ' HG13 ' A' ' 69' ' ' VAL . 21.5 mt -138.96 116.66 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.87 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.54 128.47 35.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.11 90.29 50.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.33 9.04 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.797 . . . . 0.0 111.041 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.62 -41.3 72.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.419 ' O ' HG23 ' A' ' 68' ' ' THR . 58.4 m -133.26 23.13 4.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.976 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.0 mpp_? 52.62 43.63 30.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.317 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 66' ' ' SER . 2.3 p -126.83 174.17 9.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 110.427 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' ' 61' ' ' ILE . 48.3 t -142.8 143.02 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -99.15 144.8 27.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.64 HG21 HD22 ' A' ' 100' ' ' LEU . 24.0 t -136.17 112.12 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -113.25 126.77 55.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.503 ' CD ' ' HA ' ' A' ' 88' ' ' PRO . 1.4 tm0? -72.64 125.08 26.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 1.017 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -123.58 -5.01 8.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLY . . . . . 0.479 ' N ' ' OE1' ' A' ' 73' ' ' GLN . . . -93.18 -150.24 26.32 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.1 p -117.63 -47.87 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 0.778 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -66.3 140.88 96.98 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 116.27 4.54 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.781 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.7 m -85.95 150.77 24.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.032 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.9 m -102.21 117.29 34.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.371 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.894 HG13 ' CD2' ' A' ' 94' ' ' LEU . 4.2 t -99.97 75.02 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.6 -96.04 2.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.483 1.115 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.7 p -123.77 13.71 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -124.4 141.94 51.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.077 . . . . 0.0 110.321 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -96.73 123.9 40.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.31 -171.74 3.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.418 ' O ' ' HB3' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -149.34 171.37 6.39 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.503 ' HA ' ' CD ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -75.06 87.56 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 126.1 1.01 7.48 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.45 1.094 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.4 tp -88.62 -177.32 5.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 0.778 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.89 134.31 9.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.984 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -136.12 -174.89 13.54 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.534 1.146 . . . . 0.0 110.96 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.8 p -133.92 153.38 51.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 0.747 . . . . 0.0 109.981 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.894 ' CD2' HG13 ' A' ' 81' ' ' VAL . 2.9 mm? -114.4 145.06 42.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.477 ' CB ' ' OD2' ' A' ' 98' ' ' ASP . 1.4 m -110.99 171.41 7.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.974 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.572 HD21 ' CB ' ' A' ' 113' ' ' TRP . 5.6 mt -68.37 116.0 8.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 100.01 -19.51 52.84 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' ASP . . . . . 0.477 ' OD2' ' CB ' ' A' ' 95' ' ' SER . 84.7 m-20 -63.94 158.92 21.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.574 HG13 ' HB2' ' A' ' 108' ' ' PRO . 70.5 t -111.0 151.77 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.821 HD23 HD21 ' A' ' 60' ' ' LEU . 12.1 tp -132.13 84.47 2.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 102' ' ' LEU . 89.6 m-85 -60.52 98.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.733 HD11 HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -36.02 -58.55 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.599 HG22 ' H ' ' A' ' 104' ' ' ASN . 8.2 p -164.18 174.01 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.599 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.5 OUTLIER 43.62 33.9 0.74 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.16 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 49.51 21.09 2.92 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 70.3 mt -119.52 -171.34 2.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.749 . . . . 0.0 109.273 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.451 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 3.9 m-85 43.19 61.46 9.8 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.65 ' C ' HD22 ' A' ' 109' ' ' LEU . 18.2 Cg_endo -74.98 145.36 31.42 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.553 1.817 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.65 HD22 ' C ' ' A' ' 108' ' ' PRO . 4.1 mm? -122.28 82.52 1.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.7 m -60.05 135.38 57.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.582 HD12 ' H ' ' A' ' 112' ' ' ARG . 29.1 tp -89.1 141.31 28.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.582 ' H ' HD12 ' A' ' 111' ' ' LEU . 24.3 mmt180 -143.65 149.94 38.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.572 ' CB ' HD21 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -126.63 132.95 51.12 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.4 t -81.77 144.49 31.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.03 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -160.54 -150.47 5.89 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 75.41 3.69 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.487 1.783 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.9 -57.58 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.958 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.57 154.09 20.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.1 p -165.05 131.9 2.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.744 . . . . 0.0 109.954 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.03 110.23 16.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.97 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.6 80.82 0.19 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.2 p -85.28 126.51 33.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 0.772 . . . . 0.0 109.976 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.2 p -157.36 92.17 1.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.977 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.76 89.97 0.14 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.515 1.134 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -80.25 109.29 14.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.6 p -170.25 119.0 0.57 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.095 . . . . 0.0 109.991 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.61 127.13 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.7 mt -75.42 -58.25 3.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.64 -149.59 20.48 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.49 151.2 37.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 0.739 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -80.68 -4.83 55.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.509 ' HA3' ' CE2' ' A' ' 113' ' ' TRP . . . 179.14 176.95 47.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -149.38 130.44 14.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 0.794 . . . . 0.0 110.336 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.421 HD22 HD11 ' A' ' 111' ' ' LEU . 4.3 mt -83.86 139.85 32.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.7 p-90 -165.18 151.09 9.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 108.023 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.778 HD22 HD21 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -89.78 145.88 24.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -122.38 103.79 8.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.23 132.85 36.38 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 109.978 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 23' ' ' THR . 18.1 Cg_endo -75.07 123.95 8.22 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.678 HG22 ' O ' ' A' ' 23' ' ' THR . 4.8 m 33.67 37.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.395 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . -71.52 -54.34 8.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . 0.552 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . 133.61 -48.13 0.97 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 25' ' ' GLY . 18.3 Cg_endo -75.06 154.66 42.39 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.487 1.783 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.5 14.4 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 112.92 3.68 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.535 1.808 . . . . 0.0 110.957 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.606 HD11 ' O ' ' A' ' 45' ' ' LEU . 2.0 mp -76.69 122.93 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -90.6 103.91 16.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.897 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 1.0 OUTLIER -55.35 161.71 2.66 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.697 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.2 Cg_endo -75.08 169.65 22.11 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.511 1.795 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.4 p -113.72 -24.83 8.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 36' ' ' GLN . 1.5 m-20 -75.77 54.79 0.82 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 34' ' ' ASP . . . 32.65 37.63 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.526 ' O ' HG23 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -83.76 176.09 9.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 110.262 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.765 ' HB1' ' HG2' ' A' ' 59' ' ' GLU . . . -126.21 121.21 32.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 38' ' ' LEU . 11.3 tp -100.06 107.98 20.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.703 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.8 t -73.43 129.78 36.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.646 HD12 HD13 ' A' ' 60' ' ' LEU . 14.3 mt -109.57 173.19 6.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 141.91 -155.04 25.24 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -56.49 147.74 21.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 0.73 . . . . 0.0 110.347 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.39 -178.09 18.07 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -6.25 17.82 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.606 ' O ' HD11 ' A' ' 29' ' ' ILE . 0.4 OUTLIER -55.19 -62.19 1.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 81.9 p -112.81 10.47 19.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.39 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 61.02 23.42 13.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.3 t -83.95 127.29 39.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.6 p -123.43 7.82 9.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -70.23 133.42 47.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -32.39 73.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -60.71 -15.58 30.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.402 ' SG ' HD22 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -94.74 137.8 33.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 108.3 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -113.83 141.55 47.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.027 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -38.8 -46.07 1.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 110.288 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.703 ' HA ' HG13 ' A' ' 39' ' ' VAL . 4.3 p30 -113.0 58.42 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLN . . . . . 0.694 ' HG3' HG13 ' A' ' 58' ' ' VAL . 36.2 tp60 -64.13 -53.0 56.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.268 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.694 HG13 ' HG3' ' A' ' 57' ' ' GLN . 14.3 m -140.67 159.34 24.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.989 ' HB2' HD11 ' A' ' 74' ' ' LEU . 19.3 tt0 -112.18 118.01 34.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.646 HD13 HD12 ' A' ' 40' ' ' LEU . 1.7 mp -103.08 132.78 49.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.526 HG23 ' O ' ' A' ' 36' ' ' GLN . 8.3 mt -129.97 121.37 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.897 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.88 135.4 41.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.86 84.74 53.19 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.82 8.44 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.517 1.798 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -74.8 -30.38 61.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.7 m -143.31 16.88 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.953 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.467 ' HG2' ' CE3' ' A' ' 113' ' ' TRP . 1.2 mtt180 55.14 48.51 19.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.454 ' C ' HG23 ' A' ' 69' ' ' VAL . 2.9 p -124.95 177.36 6.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.097 . . . . 0.0 110.364 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.561 HG23 HD21 ' A' ' 111' ' ' LEU . 84.5 t -153.95 131.52 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -93.69 144.76 25.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.758 HG21 HD13 ' A' ' 94' ' ' LEU . 76.8 t -128.76 116.51 41.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 59' ' ' GLU . 8.5 ttpt -122.58 120.66 34.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.419 ' HG2' ' HA ' ' A' ' 88' ' ' PRO . 31.0 tt0 -79.99 118.85 22.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.368 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.989 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -115.4 6.08 14.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -97.38 -145.25 18.75 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -119.28 -50.19 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -61.27 137.63 94.43 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 126.79 10.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.496 1.787 . . . . 0.0 111.056 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 m -97.73 159.17 15.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.023 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 89.2 m -119.81 123.88 44.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.393 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.871 HG22 HD13 ' A' ' 100' ' ' LEU . 13.2 t -103.32 83.65 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.226 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.52 -96.41 2.03 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.17 15.93 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -124.93 136.86 54.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.19 145.08 28.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.325 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 86' ' ' LEU . 12.4 mt -104.75 -172.38 2.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LYS . . . . . 0.474 ' HB2' HD22 ' A' ' 90' ' ' LEU . 6.7 mttt -142.97 172.67 5.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.419 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.1 Cg_endo -75.03 113.94 3.91 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.475 1.776 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.32 1.18 62.67 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.539 1.149 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.474 HD22 ' HB2' ' A' ' 87' ' ' LYS . 5.5 tp -83.44 179.85 7.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -156.66 134.93 11.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.961 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.73 -167.83 11.97 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.128 . . . . 0.0 110.954 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.1 p -133.18 153.94 51.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 0.773 . . . . 0.0 109.975 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.764 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -130.33 129.85 43.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.8 p -98.89 160.62 14.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.02 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.523 HD21 ' CB ' ' A' ' 113' ' ' TRP . 3.7 mt -53.3 107.97 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 115.89 -37.94 3.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -48.22 149.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 0.734 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.496 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 61.8 t -99.55 165.38 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.871 HD13 HG22 ' A' ' 81' ' ' VAL . 55.6 tp -145.51 84.91 1.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.431 ' O ' ' C ' ' A' ' 102' ' ' LEU . 97.8 m-85 -61.28 99.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.632 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -38.01 -58.43 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.573 HG22 ' H ' ' A' ' 104' ' ' ASN . 8.9 p -163.54 173.02 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.573 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.5 OUTLIER 44.56 35.66 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 46.48 22.61 1.07 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.115 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.4 ' N ' ' C ' ' A' ' 104' ' ' ASN . 49.5 mt -118.46 -170.78 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 0.78 . . . . 0.0 109.283 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.468 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 3.3 m-85 43.41 60.09 11.28 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.496 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.2 Cg_endo -74.96 132.02 15.0 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.523 1.802 . . . . 0.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.632 ' CD2' HD12 ' A' ' 102' ' ' LEU . 3.9 mm? -110.58 110.6 21.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 19' ' ' LEU . 76.9 m -80.92 130.15 34.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.561 HD21 HG23 ' A' ' 69' ' ' VAL . 49.9 tp -81.12 122.06 26.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -120.99 162.0 20.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.523 ' CB ' HD21 ' A' ' 96' ' ' LEU . 3.4 t-105 -133.79 131.26 39.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 108.037 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.402 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 12.5 t -78.18 142.99 37.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.992 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -154.35 143.13 9.69 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 142.94 28.16 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.498 1.788 . . . . 0.0 110.966 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.6 p -169.6 -65.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.3 t 64.47 113.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.988 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -106.96 83.85 1.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 109.994 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.8 p -85.84 129.72 34.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.032 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.34 107.7 0.31 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 t -69.48 138.29 53.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 0.0 109.986 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.99 107.26 3.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.996 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.38 -117.53 1.54 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.45 126.52 27.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 0.744 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.18 129.79 34.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.003 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.34 80.71 4.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 mt -60.05 111.72 1.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.69 61.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 110.964 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.4 t -67.24 129.5 40.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 0.766 . . . . 0.0 109.975 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.1 mtm105 -102.31 170.05 8.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.561 ' HA3' ' CZ2' ' A' ' 113' ' ' TRP . . . -38.15 157.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.143 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.6 ptt180 -150.89 139.53 20.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 0.773 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.64 154.85 28.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.241 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 53.0 p-90 -162.49 160.88 26.69 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.923 ' CD2' HD21 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -98.02 140.42 32.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -108.32 96.35 6.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 110.281 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.36 146.34 98.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.02 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 23' ' ' THR . 18.3 Cg_endo -74.95 162.19 37.66 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.465 1.771 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 22' ' ' PRO . 9.1 t -41.31 162.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.425 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 52.35 36.64 46.48 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -138.6 -173.59 13.05 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 173.67 14.1 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.492 1.785 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 173.93 13.67 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.452 1.764 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 116.7 4.66 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.531 1.806 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.9 mp -89.11 140.39 15.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -107.29 123.67 48.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.939 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' LEU . . . . . 0.923 HD21 ' CD2' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -77.69 164.01 60.22 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PRO . . . . . 0.587 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.2 Cg_endo -74.99 148.24 35.04 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.504 1.792 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.1 p -93.32 -35.09 13.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.36 -32.8 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.18 -2.28 6.72 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.518 1.136 . . . . 0.0 111.047 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLN . . . . . 0.418 ' HB2' ' CG ' ' A' ' 32' ' ' PRO . 16.5 mt-30 -52.83 172.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 0.784 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . 0.786 ' HB1' ' HG2' ' A' ' 59' ' ' GLU . . . -124.0 124.52 42.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 38' ' ' LEU . 7.5 tp -97.52 106.46 18.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.769 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.8 t -71.27 132.67 33.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.364 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.836 HD12 HD13 ' A' ' 60' ' ' LEU . 15.0 mt -120.26 154.36 35.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' GLY . . . . . 0.457 ' HA2' ' CD2' ' A' ' 102' ' ' LEU . . . 162.19 -142.74 8.18 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.473 1.108 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 0.7 OUTLIER -65.6 141.0 58.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 0.787 . . . . 0.0 110.284 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.69 -170.88 21.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -1.75 11.63 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.543 1.812 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.06 -62.04 2.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' THR . . . . . 0.598 HG21 HD11 ' A' ' 102' ' ' LEU . 68.5 p -119.16 12.68 12.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.368 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 65.52 11.49 7.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.565 HG11 ' SG ' ' A' ' 53' ' ' CYS . 13.1 t -73.18 126.59 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.432 ' O ' ' OG1' ' A' ' 49' ' ' THR . 1.4 t -132.81 38.9 3.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.429 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -103.22 131.02 50.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.7 mtm105 -55.24 -40.65 71.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LYS . . . . . 0.449 ' O ' ' ND2' ' A' ' 77' ' ' ASN . 7.8 mmtm -52.04 -30.92 27.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' CYS . . . . . 0.565 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -77.38 173.84 11.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.083 . . . . 0.0 108.288 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 54' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -151.98 136.5 16.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.019 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ARG . . . . . 0.457 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 0.7 OUTLIER -37.69 -32.22 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ASN . . . . . 0.769 ' HA ' HG13 ' A' ' 39' ' ' VAL . 0.4 OUTLIER -123.07 59.8 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 3.2 tp-100 -69.22 -35.87 76.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -151.02 169.19 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLU . . . . . 0.786 ' HG2' ' HB1' ' A' ' 37' ' ' ALA . 4.1 tt0 -123.65 100.13 6.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LEU . . . . . 0.836 HD13 HD12 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -83.75 135.83 34.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ILE . . . . . 0.601 ' O ' HG13 ' A' ' 69' ' ' VAL . 4.7 mt -136.64 119.67 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.288 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ALA . . . . . 0.864 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.08 115.08 13.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ASP . . . . . 0.433 ' OD1' HG22 ' A' ' 61' ' ' ILE . 0.6 OUTLIER -116.67 86.09 18.16 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 0.88 8.4 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.501 1.79 . . . . 0.0 110.952 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.48 -28.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' SER . . . . . 0.551 ' O ' ' CB ' ' A' ' 67' ' ' ARG . 0.4 OUTLIER -162.91 -47.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.052 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ARG . . . . . 0.551 ' CB ' ' O ' ' A' ' 66' ' ' SER . 0.0 OUTLIER 154.28 70.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.3 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.469 HG23 ' C ' ' A' ' 67' ' ' ARG . 40.0 p -154.48 177.76 10.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.393 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' VAL . . . . . 0.601 HG13 ' O ' ' A' ' 61' ' ' ILE . 69.1 t -154.82 138.84 8.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.429 1.081 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ALA . . . . . 0.528 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . . . -91.02 146.01 24.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' VAL . . . . . 0.855 HG21 HD13 ' A' ' 94' ' ' LEU . 82.2 t -137.27 103.78 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 59' ' ' GLU . 1.2 ttmp? -107.44 123.36 48.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.425 ' HG2' ' HA ' ' A' ' 88' ' ' PRO . 35.6 tt0 -79.24 108.31 12.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.519 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -99.93 -3.19 32.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -87.77 -142.62 7.98 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 110.95 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -125.91 -52.71 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 0.784 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.485 ' HB3' HG23 ' A' ' 103' ' ' VAL . 37.9 m-80 -58.24 142.32 81.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.17 9.81 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.4 t -98.13 157.94 15.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.001 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 84' ' ' GLN . 87.0 m -116.66 107.5 14.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.844 HG13 ' CD1' ' A' ' 94' ' ' LEU . 5.0 t -89.57 74.1 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 106.67 -98.02 1.29 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.05 17.58 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 80' ' ' THR . 14.8 tt0 -124.78 140.87 52.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -86.38 136.2 33.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 86' ' ' LEU . 12.7 mt -99.84 -172.66 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -141.06 169.58 11.19 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' PRO . . . . . 0.425 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -75.05 98.24 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 113.66 2.67 24.05 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.448 ' HA ' HD12 ' A' ' 90' ' ' LEU . 5.9 tp -87.2 178.66 6.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.757 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.55 134.92 10.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.985 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -134.74 -167.87 11.54 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.46 1.1 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.2 m -126.25 143.93 50.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 0.763 . . . . 0.0 110.037 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' LEU . . . . . 0.855 HD13 HG21 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -118.43 119.83 35.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.537 ' C ' HD23 ' A' ' 111' ' ' LEU . 3.1 m -86.46 164.78 16.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.406 HD21 ' C ' ' A' ' 112' ' ' ARG . 9.8 mt -65.38 107.96 1.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 119.36 -29.89 5.99 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.426 1.079 . . . . 0.0 110.966 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.19 171.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 82' ' ' GLY . 19.2 t -121.62 149.91 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.652 ' CD2' HD11 ' A' ' 60' ' ' LEU . 10.5 tp -128.7 86.74 2.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' TYR . . . . . 0.506 ' O ' ' C ' ' A' ' 102' ' ' LEU . 90.2 m-85 -62.64 96.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 111.043 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' LEU . . . . . 0.761 HD12 HD11 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -32.22 -59.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.543 HG22 ' N ' ' A' ' 104' ' ' ASN . 14.4 p -164.56 171.74 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' ASN . . . . . 0.543 ' N ' HG22 ' A' ' 103' ' ' VAL . 0.5 OUTLIER 41.52 42.78 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 40.18 26.4 0.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.515 1.135 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 104' ' ' ASN . 28.6 mt -119.91 -170.2 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 0.764 . . . . 0.0 109.285 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' TYR . . . . . 0.493 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 11.3 m-85 37.45 58.89 4.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 108' ' ' PRO . . . . . 0.559 ' C ' HD12 ' A' ' 109' ' ' LEU . 18.3 Cg_endo -74.97 -178.4 4.14 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.5 1.789 . . . . 0.0 110.958 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.761 HD11 HD12 ' A' ' 102' ' ' LEU . 5.2 mp -153.08 173.16 15.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.353 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 91.4 m -133.33 103.42 5.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.401 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LEU . . . . . 0.537 HD23 ' C ' ' A' ' 95' ' ' SER . 43.3 tp -60.31 130.84 48.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' ARG . . . . . 0.406 ' C ' HD21 ' A' ' 96' ' ' LEU . 21.0 mmt180 -133.19 168.09 19.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 113' ' ' TRP . . . . . 0.561 ' CZ2' ' HA3' ' A' ' 15' ' ' GLY . 0.3 OUTLIER -130.7 150.39 51.91 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . 0.443 ' O ' ' NE1' ' A' ' 113' ' ' TRP . 5.1 t -102.83 127.31 50.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -108.8 -153.88 16.2 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.528 1.143 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 92.75 0.97 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.523 1.801 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.52 131.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 74.5 p -146.48 121.8 10.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.127 . . . . 0.0 110.056 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.45 1.094 . . . . 0.0 110.982 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.478 HD22 HD11 ' A' ' 111' ' ' LEU . 9.7 mt . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.527 ' CZ2' ' HB3' ' A' ' 112' ' ' ARG . 50.8 p-90 -166.83 169.29 13.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 108.012 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.407 ' HG ' HD21 ' A' ' 31' ' ' LEU . 11.1 mt -112.55 141.9 45.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 . . . . . 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.274 -179.956 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.876 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 107.43 2.48 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 mp -80.41 134.54 27.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -96.25 104.22 16.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.839 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 2.4 mt -53.36 153.88 6.68 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 123.77 8.14 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.475 1.776 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.408 ' C ' ' N ' ' A' ' 35' ' ' GLY . 90.3 p -79.59 -31.22 41.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.974 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -45.69 -26.29 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 33' ' ' SER . . . 115.41 -5.7 21.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -53.39 175.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 0.0 110.257 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.79 ' HB1' ' HG2' ' A' ' 59' ' ' GLU . . . -119.2 120.56 37.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.264 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 tp -93.99 101.64 13.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.635 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.7 t -72.62 126.92 34.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.538 HD12 HD13 ' A' ' 60' ' ' LEU . 16.3 mt -107.88 155.22 20.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.459 ' HA2' ' CD2' ' A' ' 102' ' ' LEU . . . 162.43 -153.6 24.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -64.01 139.51 58.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 110.332 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.84 -172.33 22.64 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.459 1.099 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -9.67 20.9 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.523 1.801 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mp -52.63 -60.89 2.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 61.2 p -114.9 7.42 15.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.434 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 65.6 20.27 11.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.402 HG11 ' SG ' ' A' ' 53' ' ' CYS . 16.0 t -83.52 129.86 36.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.5 p -129.86 28.62 5.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.419 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -92.6 125.28 37.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -29.51 44.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.403 ' O ' ' OD1' ' A' ' 77' ' ' ASN . 29.9 mmtt -62.34 -22.13 65.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.559 ' SG ' HD22 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -90.82 140.05 30.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 108.274 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -112.9 138.21 50.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 110.007 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.1 OUTLIER -38.39 -35.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.635 ' HA ' HG13 ' A' ' 39' ' ' VAL . 2.5 p30 -124.29 59.23 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -63.61 -47.05 83.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 110.344 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.474 HG12 ' HA ' ' A' ' 73' ' ' GLN . 0.7 OUTLIER -146.16 167.74 7.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 1.006 ' HB2' HD11 ' A' ' 74' ' ' LEU . 6.5 tt0 -121.27 109.31 14.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.809 HD11 HD21 ' A' ' 100' ' ' LEU . 2.6 mp -93.4 141.28 28.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.544 HD11 ' HB2' ' A' ' 37' ' ' ALA . 21.2 mt -138.72 120.36 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.839 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.8 118.4 17.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -115.94 88.06 20.45 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.31 9.07 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.503 1.791 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.31 -38.05 89.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.254 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.5 m -144.05 29.4 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.028 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.16 55.78 8.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.269 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.8 p -134.89 175.25 9.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.416 HG13 ' O ' ' A' ' 61' ' ' ILE . 98.9 t -148.21 132.27 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -93.59 140.61 29.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.545 HG21 HD13 ' A' ' 94' ' ' LEU . 94.4 t -128.04 130.97 69.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 4.9 ttpt -133.61 124.14 26.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.474 ' HA ' HG12 ' A' ' 58' ' ' VAL . 33.5 tt0 -79.12 120.13 23.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.006 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -117.8 2.21 12.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -97.36 -148.17 23.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -118.73 -45.63 3.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 52' ' ' LYS . 2.2 m120 -62.2 138.28 96.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.257 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 122.64 7.36 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.537 1.809 . . . . 0.0 111.025 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -93.34 159.32 15.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.971 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.0 m -120.65 123.15 42.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.414 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.705 ' O ' HG12 ' A' ' 81' ' ' VAL . 4.0 t -103.26 78.01 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 100.54 -93.6 1.21 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.405 ' O ' HG22 ' A' ' 83' ' ' VAL . 9.4 p -134.18 16.99 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.766 . . . . 0.0 109.373 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 85' ' ' GLU . 1.9 tt0 -125.4 136.72 53.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.402 ' N ' ' HG3' ' A' ' 84' ' ' GLN . 1.0 OUTLIER -82.18 142.85 31.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 86' ' ' LEU . 11.0 mt -101.33 -173.83 2.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.51 ' HB2' HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -141.02 171.56 7.41 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.417 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -75.08 114.01 3.92 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.494 1.787 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.59 2.11 61.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.445 1.091 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.51 HD22 ' HB2' ' A' ' 87' ' ' LYS . 5.1 tp -84.34 -178.86 7.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 0.3 OUTLIER -160.13 141.62 12.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.058 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -140.63 -168.04 11.25 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.5 p -131.76 151.87 51.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.756 . . . . 0.0 109.993 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.545 HD13 HG21 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -126.17 130.18 50.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -94.57 165.41 12.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.49 HD11 ' CB ' ' A' ' 113' ' ' TRP . 4.3 mt -60.9 108.17 0.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 115.48 -28.03 8.08 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -56.93 154.48 9.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.289 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 55.8 t -105.34 160.2 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.809 HD21 HD11 ' A' ' 60' ' ' LEU . 29.7 tp -141.08 84.29 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.44 ' O ' ' C ' ' A' ' 102' ' ' LEU . 95.2 m-85 -62.21 99.99 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.811 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -36.74 -59.52 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.535 HG12 ' SG ' ' A' ' 53' ' ' CYS . 3.3 p -163.33 167.73 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.535 ' N ' HG22 ' A' ' 103' ' ' VAL . 0.6 OUTLIER 50.72 30.42 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.403 ' O ' ' CD1' ' A' ' 101' ' ' TYR . . . 50.97 20.59 4.49 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 66.9 mt -114.7 -171.91 2.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.446 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 14.9 m-85 43.87 61.78 10.17 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.446 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.2 Cg_endo -75.01 139.53 24.35 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.532 1.806 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.811 ' CD2' HD12 ' A' ' 102' ' ' LEU . 3.6 mm? -117.13 103.29 10.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 61.3 m -76.72 125.5 29.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 110.406 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.478 HD11 HD22 ' A' ' 17' ' ' LEU . 18.8 tp -81.87 128.82 34.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.527 ' HB3' ' CZ2' ' A' ' 18' ' ' TRP . 23.8 mmt180 -133.5 155.61 49.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.351 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.49 ' CB ' HD11 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -129.32 133.58 47.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 108.018 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.444 ' O ' ' NE1' ' A' ' 113' ' ' TRP . 24.9 t . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 mt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 41.1 p-90 -167.05 171.32 11.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 108.016 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.416 HD11 HD22 ' A' ' 60' ' ' LEU . 23.3 mt -110.14 144.78 38.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 . . . . . 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.342 179.949 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo . . . . . 0 N--CA 1.453 -0.912 0 N-CA-C 110.998 -0.424 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 105.01 2.0 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.52 1.8 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.4 mp -78.85 129.35 37.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -98.74 115.38 28.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.92 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 0.3 OUTLIER -68.57 164.7 42.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.752 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.2 Cg_endo -74.95 173.69 14.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.792 . . . . 0.0 111.021 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.1 p -120.84 -38.22 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -48.17 -30.65 4.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.22 -1.57 7.15 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -49.48 172.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 110.351 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.775 ' HB1' ' HG3' ' A' ' 59' ' ' GLU . . . -124.62 118.93 27.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 38' ' ' LEU . 8.7 tp -90.99 109.21 20.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.093 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.605 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.8 t -80.41 133.29 29.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.3 mt -116.54 156.78 26.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.249 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.37 -160.85 33.08 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.458 1.099 . . . . 0.0 111.004 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -53.51 144.1 17.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 0.788 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 127.2 -171.37 18.76 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -3.25 13.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.486 1.782 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.99 -61.37 2.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.542 HG21 HD11 ' A' ' 102' ' ' LEU . 63.3 p -115.39 7.68 15.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.429 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 64.82 20.19 12.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.629 HG11 ' SG ' ' A' ' 53' ' ' CYS . 8.8 t -83.05 133.81 28.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.1 p -116.82 -12.1 10.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.447 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -53.41 128.02 27.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -59.28 -47.65 84.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -46.64 -27.61 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.629 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -79.54 113.87 18.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 108.307 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.24 139.09 31.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.3 mtt-85 -38.48 -34.14 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.605 ' HA ' HG13 ' A' ' 39' ' ' VAL . 2.9 m120 -124.39 58.95 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.085 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.655 ' HG3' HG13 ' A' ' 58' ' ' VAL . 38.0 tp60 -65.79 -48.34 72.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.655 HG13 ' HG3' ' A' ' 57' ' ' GLN . 6.1 m -138.32 170.63 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.775 ' HG3' ' HB1' ' A' ' 37' ' ' ALA . 16.3 tt0 -128.82 108.09 10.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.644 HD21 HD23 ' A' ' 100' ' ' LEU . 3.3 mp -92.75 139.86 30.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.563 ' O ' HG13 ' A' ' 69' ' ' VAL . 24.2 mt -134.29 125.88 48.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.92 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -75.62 125.79 29.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.63 86.57 52.69 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -3.33 13.77 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.57 1.826 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -64.88 -50.89 64.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.666 ' O ' HG23 ' A' ' 68' ' ' THR . 0.6 OUTLIER -129.55 36.9 4.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.529 ' NH1' ' CZ2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER 41.69 54.94 3.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.666 HG23 ' O ' ' A' ' 66' ' ' SER . 1.9 p -133.0 177.45 7.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 61' ' ' ILE . 95.0 t -150.11 125.91 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -86.02 145.34 27.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.575 HG21 HD13 ' A' ' 94' ' ' LEU . 90.5 t -130.71 138.89 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 2.1 ttpt -139.99 120.42 14.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.434 ' HA ' HG12 ' A' ' 58' ' ' VAL . 36.9 tt0 -78.28 113.71 16.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.772 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -107.93 3.24 23.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.1 -147.4 22.58 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 p -120.29 -47.88 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 0.773 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -62.69 139.84 97.02 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 124.74 8.84 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.465 1.771 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 86' ' ' LEU . 9.9 m -93.17 159.07 15.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.9 m -117.1 122.71 44.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.43 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.796 HG13 HD12 ' A' ' 94' ' ' LEU . 39.3 t -103.15 89.01 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.53 -92.79 1.75 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.498 1.123 . . . . 0.0 110.967 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.401 ' O ' HG22 ' A' ' 83' ' ' VAL . 8.6 p -131.47 19.9 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.53 0.782 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -125.1 146.27 49.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.22 139.21 31.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 79' ' ' SER . 10.7 mt -102.65 -172.91 2.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -143.67 170.55 8.3 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.424 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -75.01 96.23 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 116.77 -0.63 19.94 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.3 tp -85.23 -178.23 6.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.753 . . . . 0.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 0.6 OUTLIER -159.46 143.52 14.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -143.63 -167.93 11.97 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.34 153.92 49.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 110.002 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.796 HD12 HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -124.37 129.3 50.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 m -96.33 148.59 22.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 110.028 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.74 HD11 ' HB2' ' A' ' 113' ' ' TRP . 5.9 mt -43.86 110.46 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.409 1.068 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 112.29 -39.74 2.77 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -46.2 148.61 0.85 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 0.73 . . . . 0.0 109.255 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.417 ' CG1' ' HB3' ' A' ' 108' ' ' PRO . 55.5 t -97.32 160.69 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.648 HD13 HG22 ' A' ' 81' ' ' VAL . 52.4 tp -142.97 84.83 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.439 ' O ' ' C ' ' A' ' 102' ' ' LEU . 95.3 m-85 -62.53 99.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.551 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -37.15 -59.89 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.681 HG22 ' H ' ' A' ' 104' ' ' ASN . 5.2 p -161.24 178.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.681 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.8 OUTLIER 42.44 32.3 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 49.84 20.59 3.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 41.5 mt -119.7 -170.97 2.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 0.744 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.475 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 2.7 m-85 48.62 60.3 15.75 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.475 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.4 Cg_endo -75.02 130.61 13.41 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.467 1.772 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.551 ' CD2' HD12 ' A' ' 102' ' ' LEU . 4.0 mm? -108.6 98.29 7.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 97.6 m -69.86 125.31 26.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 110.388 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.554 HD21 HG23 ' A' ' 69' ' ' VAL . 38.0 tp -82.62 126.01 31.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -124.65 162.73 23.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.74 ' HB2' HD11 ' A' ' 96' ' ' LEU . 7.6 t-105 -123.14 138.79 54.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 108.009 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.57 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 0.9 OUTLIER . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.004 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.525 HD22 HD11 ' A' ' 111' ' ' LEU . 1.1 mt . . . . . 0 N--CA 1.454 -0.273 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.445 ' CE3' ' HB2' ' A' ' 28' ' ' PRO . 50.1 p-90 -166.92 157.01 11.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 108.032 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.914 ' CD2' HD21 ' A' ' 31' ' ' LEU . 0.7 OUTLIER -96.04 143.34 27.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 . . . . . 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 -179.995 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.452 -0.923 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . 0.445 ' HB2' ' CE3' ' A' ' 18' ' ' TRP . 18.3 Cg_endo -74.94 105.37 2.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.463 1.77 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 mp -78.63 141.3 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 52.7 m-85 -104.29 114.21 28.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.914 HD21 ' CD2' ' A' ' 19' ' ' LEU . 2.0 mt -64.53 160.44 52.08 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.441 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.3 Cg_endo -75.02 124.48 8.64 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.3 m -78.43 -22.94 46.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.555 1.16 . . . . 0.0 110.009 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.01 -34.02 58.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.12 -11.08 6.19 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.513 1.133 . . . . 0.0 110.958 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -48.57 168.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 0.752 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.813 ' HB1' ' HG3' ' A' ' 59' ' ' GLU . . . -117.1 122.36 43.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.3 tp -92.28 99.64 12.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.63 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.5 t -70.61 116.97 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.505 HD23 HD11 ' A' ' 102' ' ' LEU . 1.0 OUTLIER -93.45 173.34 7.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 140.14 -162.59 26.4 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -53.95 143.25 22.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 0.733 . . . . 0.0 110.289 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.51 -179.1 18.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.499 1.125 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.14 9.59 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mp -59.96 -60.36 3.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.71 ' OG1' HG23 ' A' ' 48' ' ' VAL . 43.5 p -114.62 8.33 16.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.435 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 66.99 15.97 10.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.71 HG23 ' OG1' ' A' ' 46' ' ' THR . 57.4 t -74.66 126.42 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 40.7 p -127.56 33.27 4.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -97.26 132.12 43.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.99 -31.18 72.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -62.91 -15.93 57.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.451 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -90.85 136.71 32.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 108.286 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -108.38 134.56 51.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.986 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.58 -31.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.247 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.63 ' HA ' HG13 ' A' ' 39' ' ' VAL . 1.1 p30 -126.21 56.43 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.522 ' HG3' HG13 ' A' ' 58' ' ' VAL . 36.3 tp60 -61.79 -46.09 91.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.337 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.522 HG13 ' HG3' ' A' ' 57' ' ' GLN . 10.3 m -145.6 157.52 12.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.855 ' HB2' HD11 ' A' ' 74' ' ' LEU . 27.0 tt0 -113.55 99.62 7.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.732 HD21 HD23 ' A' ' 100' ' ' LEU . 3.1 mp -80.72 141.61 34.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.557 HG22 ' OD1' ' A' ' 63' ' ' ASP . 90.6 mt -139.93 116.21 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.897 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.55 120.93 20.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.557 ' OD1' HG22 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -121.99 84.42 44.89 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.568 1.168 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 0.57 8.74 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -64.89 -42.78 94.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.314 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.25 16.62 4.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.97 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.571 ' CD ' ' CZ3' ' A' ' 113' ' ' TRP . 7.5 mmt-85 60.21 69.22 0.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.6 p -148.99 174.8 11.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.429 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.438 ' CG2' HD22 ' A' ' 111' ' ' LEU . 93.5 t -146.95 125.88 4.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.44 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . . . -87.99 146.03 25.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.61 HG21 HD13 ' A' ' 94' ' ' LEU . 87.0 t -137.41 111.94 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -112.65 120.75 42.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.42 ' HG2' ' HA ' ' A' ' 88' ' ' PRO . 31.6 tt0 -72.49 117.17 13.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.855 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -119.51 8.06 11.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -101.0 -146.16 18.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -120.26 -51.34 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.449 0.735 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -63.52 141.38 97.87 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 126.83 10.23 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.468 1.773 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.0 m -97.61 159.25 15.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.1 m -119.04 108.23 14.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.402 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.851 HG13 HD12 ' A' ' 94' ' ' LEU . 8.1 t -87.38 73.41 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.361 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 105.05 -95.84 1.15 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.541 1.15 . . . . 0.0 110.993 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.1 p -132.43 16.62 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.435 0.727 . . . . 0.0 109.334 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -125.16 129.17 49.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.66 140.43 42.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 86' ' ' LEU . 11.7 mt -101.6 -173.67 2.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.47 174.33 3.7 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.42 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -74.96 108.47 2.72 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.514 1.797 . . . . 0.0 111.03 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.4 1.14 55.62 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.545 1.153 . . . . 0.0 111.021 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.1 tp -88.67 -176.85 5.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 28.7 t -156.26 171.36 20.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -160.63 -167.76 21.59 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.449 1.093 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 92.2 p -138.62 129.98 27.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 0.747 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.851 HD12 HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -104.19 129.06 51.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 60.4 m -98.42 165.36 11.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.981 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.451 HD21 ' N ' ' A' ' 113' ' ' TRP . 4.6 mt -59.17 105.15 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 116.16 -28.12 7.78 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.529 1.143 . . . . 0.0 110.953 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -57.52 148.37 24.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.744 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.518 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 60.0 t -99.06 160.87 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.732 HD23 HD21 ' A' ' 60' ' ' LEU . 18.2 tp -140.62 84.38 1.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.42 ' O ' ' C ' ' A' ' 102' ' ' LEU . 95.0 m-85 -60.43 99.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.505 HD11 HD23 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -37.58 -58.27 0.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.571 HG22 ' H ' ' A' ' 104' ' ' ASN . 9.1 p -163.2 172.88 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.571 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.4 OUTLIER 43.2 36.41 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 46.84 22.89 1.28 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 30.0 mt -118.49 -171.41 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.46 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 3.6 m-85 43.0 60.77 10.22 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.518 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.02 138.85 23.53 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.509 1.794 . . . . 0.0 110.954 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.51 HD22 ' C ' ' A' ' 108' ' ' PRO . 4.0 mm? -117.39 101.96 8.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 19' ' ' LEU . 32.0 m -74.81 130.62 39.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.366 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.525 HD11 HD22 ' A' ' 17' ' ' LEU . 16.2 tp -83.19 134.94 34.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.464 ' H ' HD12 ' A' ' 111' ' ' LEU . 23.4 mmt180 -139.53 151.79 46.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.571 ' CZ3' ' CD ' ' A' ' 67' ' ' ARG . 8.1 t-105 -110.57 141.87 43.17 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.022 -179.999 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.66 HD22 HD11 ' A' ' 111' ' ' LEU . 3.2 mt . . . . . 0 N--CA 1.453 -0.28 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.433 ' CB ' ' O ' ' A' ' 29' ' ' ILE . 53.2 p-90 -166.39 157.04 12.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 107.96 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.801 ' CD2' HD21 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -94.0 144.88 25.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 . . . . . 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.268 -179.989 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 110.979 -0.431 . . . . 0.0 110.979 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 118.35 5.22 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.548 1.815 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.51 HD11 ' O ' ' A' ' 45' ' ' LEU . 2.7 mp -86.08 140.38 15.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -104.3 107.22 18.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.889 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 0.5 OUTLIER -63.61 164.0 17.93 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.882 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.1 Cg_endo -75.04 152.49 40.63 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.515 1.798 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.4 m -102.16 -27.3 12.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.009 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -50.09 -36.85 31.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.62 -6.82 5.88 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.438 1.086 . . . . 0.0 111.034 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -51.21 -179.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 0.782 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.638 ' HB1' ' CG ' ' A' ' 59' ' ' GLU . . . -130.0 123.31 30.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.418 ' HA ' HD12 ' A' ' 38' ' ' LEU . 6.9 tp -92.88 106.79 18.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.714 HG13 ' HA ' ' A' ' 56' ' ' ASN . 2.0 t -70.88 121.38 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.585 HD23 HD11 ' A' ' 102' ' ' LEU . 1.0 OUTLIER -96.08 173.56 7.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.96 -165.21 25.69 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.501 1.125 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -46.75 148.59 1.0 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 0.786 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.84 178.39 15.46 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.453 1.096 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -8.48 20.12 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.806 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.51 ' O ' HD11 ' A' ' 29' ' ' ILE . 6.2 mp -57.68 -59.95 4.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.648 HG21 HD11 ' A' ' 102' ' ' LEU . 63.2 p -106.89 -2.65 21.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.366 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 65.9 29.08 10.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.661 HG11 ' SG ' ' A' ' 53' ' ' CYS . 11.7 t -90.93 133.35 32.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 50' ' ' ASP . 39.4 p -119.17 -33.25 4.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.426 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 49' ' ' THR . 49.2 t0 -39.04 123.62 1.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -58.02 -22.49 50.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.402 ' O ' ' CG ' ' A' ' 77' ' ' ASN . 57.1 mmtt -60.78 -15.28 28.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.661 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -96.71 140.99 30.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 108.31 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -116.18 138.56 51.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -38.94 -40.64 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.266 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.714 ' HA ' HG13 ' A' ' 39' ' ' VAL . 4.1 m-20 -117.77 58.06 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.56 ' HG3' HG13 ' A' ' 58' ' ' VAL . 45.9 tp60 -63.12 -51.22 67.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.338 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.56 HG13 ' HG3' ' A' ' 57' ' ' GLN . 4.6 m -141.96 163.89 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.94 ' HB2' HD11 ' A' ' 74' ' ' LEU . 3.5 tt0 -115.39 107.13 14.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.53 HD21 HD23 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -90.37 144.01 26.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.349 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.723 ' O ' HG13 ' A' ' 69' ' ' VAL . 69.5 mt -140.79 121.21 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.889 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -78.85 118.87 21.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.78 86.43 30.22 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 0.31 9.06 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.491 1.785 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -47.63 84.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.423 ' O ' HG23 ' A' ' 68' ' ' THR . 0.4 OUTLIER -137.72 31.84 2.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 109.951 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.608 ' CD ' ' CE3' ' A' ' 113' ' ' TRP . 6.5 mmt-85 50.71 67.41 0.94 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.48 ' C ' HG23 ' A' ' 69' ' ' VAL . 6.8 p -146.16 177.26 9.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.437 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.723 HG13 ' O ' ' A' ' 61' ' ' ILE . 99.6 t -155.64 141.67 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.2 144.84 30.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.428 HG11 HD11 ' A' ' 100' ' ' LEU . 86.0 t -132.95 114.5 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -116.61 119.09 34.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -74.97 112.29 11.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.94 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -110.15 -5.28 15.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.241 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.12 -140.95 7.89 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.547 1.155 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -124.25 -53.08 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.473 ' HB3' HG23 ' A' ' 103' ' ' VAL . 3.1 m120 -53.86 137.26 55.26 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 124.67 8.81 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.492 1.785 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.8 m -95.01 159.2 15.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 110.042 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.2 m -122.43 108.51 13.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.417 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.661 HG13 HD12 ' A' ' 94' ' ' LEU . 24.6 t -89.47 83.57 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.3 -98.65 2.22 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.8 p -131.37 17.08 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.516 0.774 . . . . 0.0 109.223 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -125.15 132.33 53.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -75.88 145.08 40.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 86' ' ' LEU . 12.0 mt -103.87 -172.52 2.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.522 ' HB2' HD22 ' A' ' 90' ' ' LEU . 10.5 mtpt -144.21 171.68 6.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 114.39 4.01 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.5 1.79 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.84 2.12 61.34 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.522 HD22 ' HB2' ' A' ' 87' ' ' LYS . 5.2 tp -83.97 -179.77 7.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.82 132.51 6.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.033 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -130.69 -169.4 12.46 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.538 1.148 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 26.7 m -133.05 152.23 51.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 0.797 . . . . 0.0 109.977 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.661 HD12 HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -125.67 133.45 52.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.102 . . . . 0.0 109.346 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 74.9 m -99.01 170.61 8.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.005 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.515 HD21 ' C ' ' A' ' 112' ' ' ARG . 4.0 mt -65.83 103.19 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 119.53 -22.87 8.65 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.36 156.84 18.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.751 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.442 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 75.2 t -107.05 159.56 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.602 HD13 HG22 ' A' ' 81' ' ' VAL . 37.7 tp -141.08 84.27 1.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.434 ' O ' ' C ' ' A' ' 102' ' ' LEU . 97.6 m-85 -60.15 99.77 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.717 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -37.85 -58.22 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.559 HG22 ' H ' ' A' ' 104' ' ' ASN . 10.8 p -163.46 172.54 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.559 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.4 OUTLIER 43.35 38.71 1.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 43.96 24.55 0.53 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.412 ' N ' ' C ' ' A' ' 104' ' ' ASN . 28.3 mt -119.62 -171.27 2.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.462 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 4.7 m-85 42.12 60.5 9.27 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.462 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.5 Cg_endo -74.97 132.98 16.07 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.547 1.814 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.717 ' CD2' HD12 ' A' ' 102' ' ' LEU . 3.8 mm? -112.03 103.72 11.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 19' ' ' LEU . 4.9 m -78.26 128.69 34.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.428 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.66 HD11 HD22 ' A' ' 17' ' ' LEU . 27.5 tp -78.75 137.16 37.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.515 ' C ' HD21 ' A' ' 96' ' ' LEU . 22.7 mmt180 -135.27 175.53 9.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.608 ' CE3' ' CD ' ' A' ' 67' ' ' ARG . 1.6 t-105 -148.04 128.07 13.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 0.0 108.0 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.571 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 10.8 t . . . . . 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mt . . . . . 0 N--CA 1.454 -0.261 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 41.3 p-90 -166.94 174.41 8.48 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.702 HD11 HD22 ' A' ' 60' ' ' LEU . 14.9 mt -114.31 143.95 44.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 . . . . . 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 -179.955 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.922 0 N-CA-C 110.995 -0.425 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 104.99 2.0 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.2 mp -77.67 124.11 35.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.235 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -89.63 110.54 21.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 111.031 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.91 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 2.0 mt -62.13 161.33 24.68 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 126.62 10.08 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.522 1.801 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.2 m -86.22 -27.65 24.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.48 -38.66 63.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 138.65 -12.86 3.44 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -49.18 176.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.759 . . . . 0.0 110.271 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.716 ' HB1' ' CG ' ' A' ' 59' ' ' GLU . . . -125.34 125.97 44.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 38' ' ' LEU . 9.1 tp -92.62 106.77 18.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.704 HG13 ' HA ' ' A' ' 56' ' ' ASN . 2.0 t -76.37 111.35 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.466 HD22 HD13 ' A' ' 60' ' ' LEU . 1.4 mp -95.55 158.46 15.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.431 ' HA2' HD21 ' A' ' 102' ' ' LEU . . . 155.39 -155.47 26.28 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -61.13 142.97 56.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 0.794 . . . . 0.0 110.296 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 128.98 -170.32 20.15 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -1.76 11.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.779 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.15 -61.8 2.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.461 ' CG2' ' HG ' ' A' ' 40' ' ' LEU . 69.6 p -117.51 9.79 13.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 64.93 18.35 11.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.5 HG11 ' SG ' ' A' ' 53' ' ' CYS . 54.5 t -81.63 134.39 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 48.2 p -130.05 28.21 5.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.374 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -88.94 127.95 35.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -54.17 -44.24 71.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -53.63 -28.41 32.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.5 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -79.44 124.1 28.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 108.278 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -102.43 141.17 35.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 54' ' ' SER . 18.3 mtp180 -38.19 -38.47 0.34 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.704 ' HA ' HG13 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -122.02 62.27 0.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 40.5 tp60 -70.31 -34.55 72.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.0 m -151.22 169.43 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 109.312 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.716 ' CG ' ' HB1' ' A' ' 37' ' ' ALA . 4.1 tt0 -128.96 105.2 8.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.702 HD22 HD11 ' A' ' 19' ' ' LEU . 1.9 mp -90.39 141.01 29.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.506 HD11 ' HB2' ' A' ' 37' ' ' ALA . 40.7 mt -140.77 117.04 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.91 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.49 127.59 33.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -126.15 87.29 56.42 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.73 8.56 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.467 1.772 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.38 -48.14 62.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.7 m -125.73 24.3 7.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.005 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.566 ' HD3' ' CZ3' ' A' ' 113' ' ' TRP . 0.2 OUTLIER 51.19 54.31 11.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.9 p -138.2 172.29 13.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.143 . . . . 0.0 110.409 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 61' ' ' ILE . 84.1 t -141.18 128.56 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.478 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . . . -85.28 145.98 27.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.69 HG21 HD13 ' A' ' 94' ' ' LEU . 38.6 t -132.97 137.39 53.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.505 ' HG2' HD23 ' A' ' 74' ' ' LEU . 3.6 ttpt -145.49 124.92 13.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.423 ' HG2' ' HA ' ' A' ' 88' ' ' PRO . 37.5 tt0 -84.06 118.58 24.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.505 HD23 ' HG2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -109.83 -1.34 17.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.55 -145.17 15.68 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -121.95 -50.91 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.782 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -56.56 139.43 75.42 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 122.07 6.97 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.801 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.0 m -90.92 158.66 16.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.984 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 86.9 m -118.11 120.54 38.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.795 HG13 ' CD1' ' A' ' 94' ' ' LEU . 76.0 t -101.29 90.22 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.4 -92.39 1.72 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.424 ' O ' HG22 ' A' ' 83' ' ' VAL . 10.7 p -132.8 20.31 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 0.743 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -125.12 148.0 48.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.69 141.69 28.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.491 HD11 HG21 ' A' ' 81' ' ' VAL . 11.3 mt -105.84 -172.37 2.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -143.62 169.44 10.42 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.292 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.423 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.99 95.76 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 117.13 1.59 18.77 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.0 tp -86.01 -177.77 6.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 0.6 OUTLIER -158.99 139.67 12.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.008 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -138.49 -167.91 11.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.68 146.79 51.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.775 . . . . 0.0 109.959 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.795 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -119.57 129.68 54.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.2 m -98.2 163.67 12.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.043 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.435 HD21 ' N ' ' A' ' 113' ' ' TRP . 2.3 mt -56.14 107.84 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 114.89 -35.18 4.52 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.95 150.64 2.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.417 ' CG1' ' HB3' ' A' ' 108' ' ' PRO . 40.3 t -104.05 157.37 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.542 HD23 HD21 ' A' ' 60' ' ' LEU . 49.9 tp -137.66 84.44 2.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.337 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.435 ' O ' ' C ' ' A' ' 102' ' ' LEU . 90.2 m-85 -61.94 98.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.586 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -37.47 -58.33 0.86 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.622 HG22 ' H ' ' A' ' 104' ' ' ASN . 9.9 p -163.08 174.96 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.622 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.5 OUTLIER 43.8 34.17 0.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 47.61 22.52 1.81 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 40.0 mt -119.84 -171.19 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 109.25 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.471 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 3.0 m-85 47.33 60.38 15.25 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.471 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.3 Cg_endo -74.97 126.78 10.21 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.508 1.794 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.586 ' CD2' HD12 ' A' ' 102' ' ' LEU . 3.8 mm? -105.16 88.01 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 86.6 m -62.51 131.23 48.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.399 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.518 HD12 ' N ' ' A' ' 112' ' ' ARG . 11.1 tp -82.14 127.96 33.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.518 ' N ' HD12 ' A' ' 111' ' ' LEU . 30.5 mmt180 -130.82 157.03 43.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.566 ' CZ3' ' HD3' ' A' ' 67' ' ' ARG . 2.0 t-105 -118.29 147.59 43.3 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.401 ' O ' ' NE1' ' A' ' 113' ' ' TRP . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 110.009 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.493 HD22 HD11 ' A' ' 111' ' ' LEU . 3.3 mt . . . . . 0 N--CA 1.453 -0.303 0 N-CA-C 109.338 -0.616 . . . . 0.0 109.338 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 22.4 p-90 -166.94 171.48 11.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 107.963 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.9 mt -114.09 139.83 48.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 . . . . . 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 179.959 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.454 -0.844 0 N-CA-C 111.013 -0.418 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 123.67 8.03 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.508 HD11 ' O ' ' A' ' 45' ' ' LEU . 2.7 mp -94.23 131.57 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 42.1 m-85 -101.54 110.87 22.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 111.025 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.791 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 2.1 mt -61.23 156.53 49.68 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.485 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.3 Cg_endo -74.96 135.97 19.85 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.467 1.772 . . . . 0.0 111.018 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 m -88.98 -31.32 18.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.039 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -46.52 -29.68 1.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.33 -0.16 12.75 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.517 1.135 . . . . 0.0 110.987 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.753 ' O ' HG23 ' A' ' 61' ' ' ILE . 30.6 mt-30 -57.23 167.14 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.675 ' HB1' ' HG2' ' A' ' 59' ' ' GLU . . . -115.27 120.47 39.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 38' ' ' LEU . 11.6 tp -98.41 114.91 27.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.526 HG11 ' CG ' ' A' ' 56' ' ' ASN . 2.3 t -87.45 129.35 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 40' ' ' LEU . 13.4 mt -101.15 172.35 7.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.91 -154.27 25.44 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 0.6 OUTLIER -68.01 137.38 55.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 110.295 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.16 -175.42 23.99 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -0.18 9.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.566 1.824 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.508 ' O ' HD11 ' A' ' 29' ' ' ILE . 6.5 mp -61.01 -60.49 3.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.415 HG21 HD11 ' A' ' 102' ' ' LEU . 56.0 p -114.62 9.09 16.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.443 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 65.19 23.09 12.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.087 . . . . 0.0 110.274 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.712 HG11 ' SG ' ' A' ' 53' ' ' CYS . 85.3 t -86.59 129.54 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.5 p -131.19 20.19 4.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.442 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -79.76 138.9 37.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.361 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -64.35 -22.73 67.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -70.21 -27.41 64.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.712 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -81.84 132.25 35.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 108.292 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -108.84 137.09 47.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.036 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -37.68 -36.72 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.526 ' CG ' HG11 ' A' ' 39' ' ' VAL . 2.0 m-80 -125.1 65.55 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.713 ' HG3' HG13 ' A' ' 58' ' ' VAL . 38.9 tp60 -70.36 -60.92 1.99 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.713 HG13 ' HG3' ' A' ' 57' ' ' GLN . 20.8 m -137.3 162.34 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.995 ' HB2' HD11 ' A' ' 74' ' ' LEU . 11.3 tt0 -112.39 125.23 53.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.525 HD21 HD23 ' A' ' 100' ' ' LEU . 2.7 mp -107.39 122.29 46.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.775 HD13 ' HB3' ' A' ' 70' ' ' ALA . 0.3 OUTLIER -123.85 117.36 50.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.791 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -75.0 126.86 31.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -121.25 89.92 47.02 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -0.66 10.26 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.523 1.802 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -60.16 -44.36 95.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 m -139.21 22.55 2.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.0 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.521 ' HD3' ' CZ3' ' A' ' 113' ' ' TRP . 18.7 mmt85 59.82 63.57 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.6 p -141.53 174.37 10.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.391 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.6 t -147.32 136.72 16.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.775 ' HB3' HD13 ' A' ' 61' ' ' ILE . . . -95.47 145.0 25.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.681 HG21 ' CD1' ' A' ' 94' ' ' LEU . 80.7 t -131.5 116.08 30.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -124.37 121.8 35.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.584 ' HA ' HG12 ' A' ' 58' ' ' VAL . 33.9 tt0 -77.0 116.71 17.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.995 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -112.31 -0.05 15.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -95.95 -146.75 21.48 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -119.14 -45.41 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -61.41 137.97 94.71 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 125.18 9.18 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.504 1.791 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -95.11 159.24 15.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.944 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 84' ' ' GLN . 72.1 m -122.4 123.68 41.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.417 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.472 HG13 ' CD1' ' A' ' 94' ' ' LEU . 52.9 t -100.4 88.06 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.88 -92.51 1.81 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.1 p -131.86 19.83 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 0.779 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.52 ' O ' HG23 ' A' ' 80' ' ' THR . 14.0 tt0 -125.03 145.02 50.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -92.78 142.34 27.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 86' ' ' LEU . 11.3 mt -103.43 -172.46 2.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.372 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.482 ' HB2' HD22 ' A' ' 90' ' ' LEU . 2.2 mtpp -143.83 172.08 6.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 113.15 3.73 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.455 1.766 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.12 0.82 59.76 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.482 HD22 ' HB2' ' A' ' 87' ' ' LYS . 5.2 tp -83.34 -178.76 7.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.32 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -158.4 141.82 15.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.982 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.42 -167.85 11.31 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 81.7 p -133.68 153.87 51.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.76 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.681 ' CD1' HG21 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -126.75 126.35 43.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.9 m -90.96 158.19 16.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 110.038 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.6 mt -55.48 103.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 119.34 -24.25 8.22 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.115 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -60.97 151.69 29.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 0.755 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.48 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 46.9 t -101.28 162.22 3.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.525 HD23 HD21 ' A' ' 60' ' ' LEU . 64.1 tp -143.51 84.9 1.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.453 ' CD1' ' O ' ' A' ' 105' ' ' GLY . 98.1 m-85 -60.89 100.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.683 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -36.78 -59.88 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.527 HG22 ' N ' ' A' ' 104' ' ' ASN . 2.8 p -165.1 167.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.155 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.527 ' N ' HG22 ' A' ' 103' ' ' VAL . 0.7 OUTLIER 53.34 26.88 5.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.353 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.453 ' O ' ' CD1' ' A' ' 101' ' ' TYR . . . 54.73 17.46 9.1 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.48 1.113 . . . . 0.0 111.037 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 89.9 mt -112.24 -170.91 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.44 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 15.1 m-85 42.68 62.1 8.6 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.48 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.1 Cg_endo -75.07 128.29 11.31 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.513 1.796 . . . . 0.0 110.953 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.683 ' CD2' HD12 ' A' ' 102' ' ' LEU . 4.2 mm? -108.17 108.94 20.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.246 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 53.5 m -82.64 132.81 35.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 110.405 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.493 HD11 HD22 ' A' ' 17' ' ' LEU . 15.6 tp -86.21 130.23 34.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -134.76 157.27 47.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.521 ' CZ3' ' HD3' ' A' ' 67' ' ' ARG . 3.2 t-105 -123.49 136.07 54.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 108.046 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.4 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.953 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 mt . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 53.6 p-90 -160.66 164.01 32.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 107.97 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.598 HD11 HD22 ' A' ' 60' ' ' LEU . 6.6 mt -103.41 142.99 33.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.452 -0.912 0 N-CA-C 111.059 -0.4 . . . . 0.0 111.059 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 112.75 3.63 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.539 1.81 . . . . 0.0 111.039 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.64 135.55 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -96.78 108.24 20.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.818 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 2.0 mt -56.0 152.52 20.82 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 118.87 5.41 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.469 1.773 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.3 t -77.0 -27.37 54.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.993 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -49.36 -28.96 5.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.52 -7.79 12.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -53.95 171.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.848 ' HB1' ' CG ' ' A' ' 59' ' ' GLU . . . -114.7 118.19 32.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 38' ' ' LEU . 11.4 tp -91.08 105.11 17.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.633 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.6 t -76.2 122.2 29.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 40' ' ' LEU . 12.7 mt -106.89 157.26 17.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.28 -150.84 21.23 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 0.5 OUTLIER -64.01 136.13 57.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 110.341 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 139.08 -169.82 24.31 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.52 1.138 . . . . 0.0 110.968 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -1.8 11.71 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.15 -61.84 2.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.671 ' OG1' HG23 ' A' ' 48' ' ' VAL . 73.2 p -117.87 10.85 13.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.379 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 66.04 16.77 10.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.336 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.797 HG11 ' SG ' ' A' ' 53' ' ' CYS . 88.3 t -79.26 130.24 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.4 p -131.05 25.41 4.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.38 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.04 145.22 25.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -66.03 -40.46 91.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.0 mmtm -55.71 -19.39 10.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.797 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -89.96 129.81 36.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 108.305 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -108.65 136.49 48.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 110.051 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -38.17 -35.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.344 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.633 ' HA ' HG13 ' A' ' 39' ' ' VAL . 1.6 p30 -123.86 57.56 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.419 ' HG3' HG13 ' A' ' 58' ' ' VAL . 40.4 tp60 -62.2 -44.79 95.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.346 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.419 HG13 ' HG3' ' A' ' 57' ' ' GLN . 7.0 m -149.28 157.56 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.848 ' CG ' ' HB1' ' A' ' 37' ' ' ALA . 31.7 tt0 -111.22 108.0 17.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.598 HD22 HD11 ' A' ' 19' ' ' LEU . 3.6 mp -90.1 136.39 33.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.443 HD11 ' HB2' ' A' ' 37' ' ' ALA . 24.3 mt -135.85 114.98 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.818 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.64 124.99 27.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.71 88.63 39.89 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.97 8.25 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.52 1.8 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -81.36 -23.15 37.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.259 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.733 ' O ' HG23 ' A' ' 68' ' ' THR . 0.6 OUTLIER -146.83 25.33 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.024 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? 42.4 46.25 4.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.733 HG23 ' O ' ' A' ' 66' ' ' SER . 2.4 p -125.2 176.22 6.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.408 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.507 HG23 HD21 ' A' ' 111' ' ' LEU . 86.9 t -151.85 123.49 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.91 145.92 26.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.602 HG21 HD13 ' A' ' 94' ' ' LEU . 38.3 t -133.13 109.69 14.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 6.3 ttmt -109.48 129.43 55.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.408 ' HG2' ' HA ' ' A' ' 88' ' ' PRO . 36.9 tt0 -84.87 115.12 22.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.837 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -116.38 8.01 14.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -101.91 -153.1 25.28 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.544 1.152 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.2 p -114.87 -47.62 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 0.782 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.413 ' O ' ' NE2' ' A' ' 57' ' ' GLN . 1.9 m120 -64.3 137.33 97.09 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 129.08 12.02 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.515 1.797 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.0 m -102.04 159.35 15.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.571 1.169 . . . . 0.0 110.041 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.4 m -117.01 120.05 37.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.888 HG13 HD12 ' A' ' 94' ' ' LEU . 35.9 t -98.03 81.0 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.11 -92.89 1.38 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.1 p -133.96 15.06 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -125.02 136.28 53.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.8 143.18 33.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.484 HD11 HG21 ' A' ' 81' ' ' VAL . 10.5 mt -101.32 -177.12 3.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.475 ' HB2' HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -137.91 169.78 12.1 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.408 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -74.95 110.2 3.07 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.48 1.779 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.6 3.65 56.19 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.475 HD22 ' HB2' ' A' ' 87' ' ' LYS . 5.2 tp -85.95 179.27 7.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 0.761 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.38 133.77 8.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.032 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -134.59 -167.77 11.54 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -133.26 152.05 51.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 109.985 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.888 HD12 HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -124.34 128.45 49.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.328 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 43.9 m -92.68 161.98 14.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.954 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.502 HD21 ' CB ' ' A' ' 113' ' ' TRP . 4.7 mt -57.05 110.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 113.69 -34.04 5.2 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -50.32 150.31 2.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.786 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.559 HG13 ' HB2' ' A' ' 108' ' ' PRO . 91.3 t -99.37 159.52 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.538 HD13 HG22 ' A' ' 81' ' ' VAL . 37.0 tp -140.78 84.57 1.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.439 ' O ' ' C ' ' A' ' 102' ' ' LEU . 96.5 m-85 -61.22 98.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.612 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -37.4 -58.53 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.58 HG22 ' H ' ' A' ' 104' ' ' ASN . 8.2 p -161.9 173.25 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.58 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.5 OUTLIER 42.83 35.7 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.402 ' O ' ' CD1' ' A' ' 101' ' ' TYR . . . 47.53 22.36 1.67 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 40.5 mt -118.09 -171.42 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.74 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.459 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 3.9 m-85 43.22 60.6 10.63 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.559 ' HB2' HG13 ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.02 127.93 11.06 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.504 1.792 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.612 ' CD2' HD12 ' A' ' 102' ' ' LEU . 3.4 mm? -104.64 96.36 6.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 19' ' ' LEU . 29.6 m -68.4 133.43 48.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.454 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.507 HD21 HG23 ' A' ' 69' ' ' VAL . 64.9 tp -89.37 129.07 35.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -130.7 169.66 15.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.307 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.502 ' CB ' HD21 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -138.81 129.93 26.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 108.012 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.5 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 179.987 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mt . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.419 ' C ' HD13 ' A' ' 19' ' ' LEU . 52.6 p-90 -159.93 160.12 33.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 107.958 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.806 ' CD2' HD21 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -98.82 148.05 24.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 179.989 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.86 0 N-CA-C 111.004 -0.421 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 113.38 3.78 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.535 1.808 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.9 mp -78.16 132.99 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -98.18 102.45 14.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.856 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 2.1 mt -58.73 159.29 13.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.652 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.3 Cg_endo -75.07 152.68 40.75 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.484 1.781 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.404 ' C ' ' N ' ' A' ' 35' ' ' GLY . 86.0 p -97.65 -35.74 10.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -45.41 -27.43 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 33' ' ' SER . . . 116.79 -3.58 19.44 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -50.42 172.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.76 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.623 ' HB1' ' CG ' ' A' ' 59' ' ' GLU . . . -120.96 122.77 40.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.6 tp -95.77 109.01 21.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.674 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.5 t -71.58 133.71 31.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.684 HD12 HD13 ' A' ' 60' ' ' LEU . 13.4 mt -112.67 167.25 10.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.99 -156.72 27.05 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -54.98 150.66 9.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.736 . . . . 0.0 110.283 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.7 -178.46 16.8 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.538 1.149 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -3.47 13.98 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.82 -61.27 2.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.696 HG21 HD11 ' A' ' 102' ' ' LEU . 66.3 p -109.05 6.3 24.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 63.1 26.52 15.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.892 HG11 ' SG ' ' A' ' 53' ' ' CYS . 40.6 t -92.64 129.16 43.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.3 p -118.04 -9.07 10.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.398 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -51.63 152.34 2.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.5 mtm180 -80.43 -33.58 36.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -61.59 -15.08 35.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.892 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -88.78 125.9 35.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.317 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.83 136.9 44.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.015 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.84 -35.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 110.332 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.674 ' HA ' HG13 ' A' ' 39' ' ' VAL . 1.2 m-20 -125.7 58.57 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.537 ' HG3' HG13 ' A' ' 58' ' ' VAL . 34.4 tp60 -61.86 -50.25 73.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.628 HG12 ' HA ' ' A' ' 73' ' ' GLN . 4.3 m -139.74 171.16 14.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.656 ' HB2' HD11 ' A' ' 74' ' ' LEU . 2.5 tt0 -122.15 109.15 14.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.805 HD11 ' CD2' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -93.06 140.93 28.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 0.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.6 ' O ' HG13 ' A' ' 69' ' ' VAL . 27.0 mt -139.4 121.42 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.856 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -75.81 121.29 22.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.03 86.11 36.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.37 9.0 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.24 -43.51 94.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.49 ' O ' HG23 ' A' ' 68' ' ' THR . 3.0 m -137.3 26.94 2.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.561 ' HD3' ' CZ3' ' A' ' 113' ' ' TRP . 1.1 mmm-85 53.39 56.93 6.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.32 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 66' ' ' SER . 18.7 p -136.86 176.1 9.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.405 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 61' ' ' ILE . 89.9 t -151.32 137.94 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -92.78 146.07 23.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.538 HG21 HD13 ' A' ' 94' ' ' LEU . 41.5 t -132.58 104.07 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -109.44 121.19 44.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.628 ' HA ' HG12 ' A' ' 58' ' ' VAL . 38.7 tt0 -77.73 116.16 18.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.656 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -109.2 -6.76 15.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -87.11 -142.84 7.61 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.558 1.161 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -126.58 -44.3 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 0.786 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -63.81 141.37 97.97 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 124.82 8.92 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.796 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -96.49 159.12 15.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.046 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.8 m -117.3 118.41 32.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.353 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.946 HG13 HD12 ' A' ' 94' ' ' LEU . 6.7 t -99.38 75.56 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 99.16 -95.52 1.56 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.8 p -129.63 19.12 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.753 . . . . 0.0 109.347 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -124.97 142.83 51.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.98 133.02 36.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.265 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.5 mt -95.3 -172.52 2.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -143.83 169.34 10.53 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.431 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -74.93 96.73 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.476 1.777 . . . . 0.0 111.04 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 115.4 4.32 20.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.9 tp -89.68 178.81 6.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 0.774 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.93 133.82 12.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.958 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -135.51 -168.69 11.65 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 69' ' ' VAL . 13.6 m -134.84 152.4 51.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 0.786 . . . . 0.0 109.978 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.946 HD12 HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -121.17 130.86 53.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.94 147.09 24.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.98 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.549 HD11 ' CB ' ' A' ' 113' ' ' TRP . 2.1 mt -43.71 110.25 0.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.142 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 112.97 -36.25 4.18 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.485 1.116 . . . . 0.0 110.957 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -50.82 149.62 3.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 0.747 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.509 HG12 ' N ' ' A' ' 100' ' ' LEU . 94.8 t -97.35 166.69 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.805 ' CD2' HD11 ' A' ' 60' ' ' LEU . 47.8 tp -147.86 84.82 1.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.468 ' CD1' ' O ' ' A' ' 105' ' ' GLY . 99.0 m-85 -61.81 100.29 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.696 HD11 HG21 ' A' ' 46' ' ' THR . 0.0 OUTLIER -36.08 -59.88 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.527 HG22 ' N ' ' A' ' 104' ' ' ASN . 2.8 p -164.88 167.51 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.527 ' N ' HG22 ' A' ' 103' ' ' VAL . 0.7 OUTLIER 52.85 28.2 6.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.468 ' O ' ' CD1' ' A' ' 101' ' ' TYR . . . 53.78 18.42 8.25 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.477 1.111 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 70.1 mt -112.03 -171.57 1.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 0.744 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.495 ' O ' ' CD2' ' A' ' 109' ' ' LEU . 11.6 m-85 43.29 61.49 9.89 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.453 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.2 Cg_endo -75.0 121.3 6.49 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.51 1.794 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 107' ' ' TYR . 3.7 mm? -101.25 118.89 37.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 19' ' ' LEU . 22.5 m -91.86 126.08 36.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.43 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.597 HD21 HG23 ' A' ' 69' ' ' VAL . 52.5 tp -79.72 129.32 34.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -127.53 165.51 19.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.263 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.561 ' CZ3' ' HD3' ' A' ' 67' ' ' ARG . 1.6 t-105 -138.48 132.02 30.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 107.989 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.481 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 4.6 t . . . . . 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.97 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.523 HD22 HD11 ' A' ' 111' ' ' LEU . 1.6 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.323 -0.621 . . . . 0.0 109.323 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 36.3 p-90 -166.47 172.91 10.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 108.025 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.444 ' HG ' HD21 ' A' ' 31' ' ' LEU . 9.4 mt -118.84 144.36 46.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.351 179.981 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 111.003 -0.422 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 103.94 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 110.987 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.4 mp -77.62 128.5 38.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -94.4 112.54 24.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.867 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 0.7 OUTLIER -64.6 162.58 33.98 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.869 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.1 Cg_endo -75.08 148.44 34.97 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.457 1.767 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 m -111.12 -5.41 14.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.003 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -79.46 -10.37 59.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.93 -18.53 16.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -47.11 170.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 0.771 . . . . 0.0 110.313 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.783 ' HB1' ' HG3' ' A' ' 59' ' ' GLU . . . -125.02 128.76 49.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 38' ' ' LEU . 10.6 tp -92.24 99.11 11.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.608 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.6 t -70.8 111.87 5.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.361 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 mp -92.83 174.51 7.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.99 -158.75 27.73 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -56.79 150.57 15.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 0.791 . . . . 0.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 125.19 -176.61 17.14 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.555 1.159 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.4 8.96 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.483 1.781 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.4 mp -59.84 -60.11 4.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.606 ' OG1' HG23 ' A' ' 48' ' ' VAL . 69.2 p -116.33 8.81 14.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.376 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 67.47 17.24 10.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.606 HG23 ' OG1' ' A' ' 46' ' ' THR . 68.9 t -79.45 129.53 37.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.3 p -130.42 18.22 5.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.41 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.24 131.47 35.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -62.05 -30.01 70.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.297 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -60.37 -18.36 49.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.577 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -86.41 171.25 11.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 108.313 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -145.41 136.33 24.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.994 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.1 OUTLIER -38.47 -31.79 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.608 ' HA ' HG13 ' A' ' 39' ' ' VAL . 3.8 p30 -129.28 62.44 1.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.509 ' HG3' HG13 ' A' ' 58' ' ' VAL . 41.1 tp60 -67.43 -44.42 78.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.509 HG13 ' HG3' ' A' ' 57' ' ' GLN . 7.6 m -146.88 157.33 10.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.838 ' HB2' HD11 ' A' ' 74' ' ' LEU . 23.7 tt0 -114.2 101.39 9.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.254 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.507 HD21 ' CD2' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -81.67 144.2 31.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.614 HG12 ' HB2' ' A' ' 37' ' ' ALA . 93.0 mt -140.87 113.88 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.869 ' HB3' ' O ' ' A' ' 32' ' ' PRO . . . -74.65 126.21 30.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -124.79 86.02 56.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 1.19 8.02 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.514 1.797 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -76.15 -25.65 55.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.8 m -144.58 17.72 1.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.97 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 51.33 57.17 6.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.6 p -138.29 176.41 8.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.398 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.497 HG11 HD23 ' A' ' 60' ' ' LEU . 66.9 t -146.7 136.85 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.425 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . . . -101.16 139.32 37.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.465 HG21 ' CD1' ' A' ' 94' ' ' LEU . 48.4 t -128.15 113.38 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -112.3 116.72 30.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.419 ' HG2' ' HA ' ' A' ' 88' ' ' PRO . 35.6 tt0 -71.37 119.1 15.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.838 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -122.43 10.43 9.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -100.75 -146.45 19.2 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.52 1.137 . . . . 0.0 111.04 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.3 p -120.0 -49.22 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -68.58 141.97 93.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 128.83 11.85 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.9 m -97.72 159.17 15.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.019 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.9 m -115.99 117.75 31.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.37 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.813 HG13 ' CD1' ' A' ' 94' ' ' LEU . 40.2 t -98.52 78.28 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 99.46 -94.71 1.42 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 83' ' ' VAL . 9.3 p -132.08 17.94 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -125.1 143.28 51.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.36 133.44 34.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.428 HD11 HG21 ' A' ' 81' ' ' VAL . 11.0 mt -93.0 -172.8 3.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.447 ' HB2' HD22 ' A' ' 90' ' ' LEU . 0.2 OUTLIER -145.22 172.21 5.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.419 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.96 112.24 3.51 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.488 1.783 . . . . 0.0 110.978 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.17 4.15 58.65 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.4 tp -86.78 179.64 6.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.762 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.93 132.76 8.52 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.974 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -132.58 -172.07 12.93 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.495 1.122 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 59.7 p -130.76 153.14 49.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 0.77 . . . . 0.0 110.019 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.813 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -125.03 128.45 48.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.85 151.15 19.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.008 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.493 HD21 ' N ' ' A' ' 113' ' ' TRP . 2.5 mt -46.11 108.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 115.49 -37.34 3.5 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -49.41 151.49 1.52 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 0.782 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.419 ' CG1' ' N ' ' A' ' 100' ' ' LEU . 41.0 t -101.13 160.59 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.346 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.658 HD13 HG22 ' A' ' 81' ' ' VAL . 28.7 tp -140.93 84.44 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.445 ' O ' ' C ' ' A' ' 102' ' ' LEU . 94.3 m-85 -61.71 99.11 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.113 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.565 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -36.74 -58.87 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.554 HG22 ' H ' ' A' ' 104' ' ' ASN . 11.4 p -160.56 172.17 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.554 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.9 OUTLIER 40.04 44.37 1.46 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 39.63 28.56 0.13 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.128 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 106' ' ' LEU . 13.0 mt -122.02 -172.06 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.443 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 3.9 m-85 41.49 61.67 7.66 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.443 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.3 Cg_endo -75.01 134.06 17.34 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.54 1.811 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.565 ' CD2' HD12 ' A' ' 102' ' ' LEU . 4.1 mm? -111.64 95.05 5.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 80.5 m -69.51 128.64 37.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.366 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.583 HD12 ' H ' ' A' ' 112' ' ' ARG . 17.9 tp -75.78 138.63 41.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.583 ' H ' HD12 ' A' ' 111' ' ' LEU . 24.6 mmt180 -141.33 150.43 42.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.493 ' N ' HD21 ' A' ' 96' ' ' LEU . 0.9 OUTLIER -119.49 140.17 50.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 107.975 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 -179.981 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.492 HD22 HD11 ' A' ' 111' ' ' LEU . 1.1 mt . . . . . 0 N--CA 1.453 -0.313 0 N-CA-C 109.316 -0.624 . . . . 0.0 109.316 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -166.88 153.94 8.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 108.009 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.821 ' CD2' HD21 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -90.71 138.28 31.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 . . . . . 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.15 . . . . 0.0 110.303 179.972 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.909 0 N-CA-C 111.02 -0.415 . . . . 0.0 111.02 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 119.11 5.51 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.508 1.793 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 mp -94.75 140.23 17.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -105.16 119.23 38.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.876 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 0.3 OUTLIER -70.8 165.49 46.16 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.739 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.3 Cg_endo -74.98 158.9 42.02 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.535 1.808 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 83.1 p -103.46 -35.77 8.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.8 -31.99 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.35 -3.08 8.28 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.68 168.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 0.787 . . . . 0.0 110.261 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.801 ' HB1' ' HG3' ' A' ' 59' ' ' GLU . . . -119.55 122.73 42.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 38' ' ' LEU . 12.9 tp -91.63 100.16 12.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.635 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.7 t -70.75 119.82 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.407 HD12 HD13 ' A' ' 60' ' ' LEU . 16.7 mt -102.37 159.36 15.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 159.95 -157.14 28.41 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.468 ' CZ ' ' HA ' ' A' ' 51' ' ' ARG . 11.7 mtm180 -56.0 138.48 48.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 0.787 . . . . 0.0 110.253 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.81 -174.69 21.49 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -0.25 9.72 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.507 1.793 . . . . 0.0 111.039 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -60.32 -61.48 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.59 HG21 HD11 ' A' ' 102' ' ' LEU . 74.6 p -117.32 11.86 14.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.437 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 64.97 19.94 11.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.323 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.474 HG11 ' SG ' ' A' ' 53' ' ' CYS . 23.0 t -77.85 122.9 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.41 ' O ' ' OG1' ' A' ' 49' ' ' THR . 1.6 t -128.55 28.86 5.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.395 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -99.08 121.73 41.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.468 ' HA ' ' CZ ' ' A' ' 42' ' ' ARG . 18.7 mtt180 -51.35 -29.31 14.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 77' ' ' ASN . 4.4 mmmt -59.04 -17.1 22.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.474 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -95.76 166.6 11.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 108.317 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.28 138.7 35.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 110.005 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.2 mtm-85 -39.29 -34.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.635 ' HA ' HG13 ' A' ' 39' ' ' VAL . 0.8 OUTLIER -123.45 58.92 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.509 ' HG3' HG13 ' A' ' 58' ' ' VAL . 32.6 tp60 -68.35 -50.22 54.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.509 HG13 ' HG3' ' A' ' 57' ' ' GLN . 4.0 m -140.67 162.34 23.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.943 ' HB2' HD11 ' A' ' 74' ' ' LEU . 17.8 tt0 -121.47 116.39 24.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.571 HD11 HD21 ' A' ' 100' ' ' LEU . 1.4 mp -99.68 141.16 32.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.551 HG12 ' HB2' ' A' ' 37' ' ' ALA . 88.4 mt -135.02 118.88 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.876 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.69 115.35 14.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -116.94 87.12 21.18 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.65 10.23 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -71.82 -35.78 70.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 110.335 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.677 ' O ' HG23 ' A' ' 68' ' ' THR . 6.1 m -136.07 26.67 3.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.037 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.665 ' CD ' ' CZ3' ' A' ' 113' ' ' TRP . 24.3 mmt85 44.83 46.86 8.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.677 HG23 ' O ' ' A' ' 66' ' ' SER . 2.9 p -129.47 177.48 7.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.434 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.437 HG13 ' O ' ' A' ' 61' ' ' ILE . 62.0 t -147.67 129.04 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -87.95 139.12 30.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.585 HG21 ' CD1' ' A' ' 94' ' ' LEU . 66.0 t -122.77 134.95 64.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 2.2 ttpt -140.44 123.5 16.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -82.67 107.74 15.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 110.276 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.943 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -100.2 -1.73 35.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.18 -146.32 19.31 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -120.6 -52.55 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 1.9 m120 -57.6 137.56 82.22 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 129.06 12.03 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.498 1.788 . . . . 0.0 111.03 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.6 m -101.34 159.41 15.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 86.1 m -115.56 117.9 31.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.385 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.844 HG13 HD12 ' A' ' 94' ' ' LEU . 24.4 t -99.24 89.15 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.96 -96.47 2.22 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.412 ' O ' HG22 ' A' ' 83' ' ' VAL . 10.3 p -130.41 17.28 2.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 0.773 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -125.2 140.83 52.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -88.67 142.32 27.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.9 mt -104.39 -172.28 2.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -143.68 170.22 8.92 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 97.5 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.52 1.8 . . . . 0.0 111.043 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 114.93 1.94 22.38 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.1 tp -86.83 -177.98 6.22 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 0.738 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -158.28 132.4 7.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.998 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -129.15 -168.12 12.29 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.459 1.1 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.81 144.16 45.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 109.958 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.844 HD12 HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -116.66 135.37 53.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.0 m -104.43 161.13 14.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.587 HD21 ' C ' ' A' ' 112' ' ' ARG . 3.9 mt -54.91 107.58 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 114.08 -32.95 5.69 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -53.23 148.33 8.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.491 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 47.5 t -97.21 164.06 2.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.745 HD13 HG22 ' A' ' 81' ' ' VAL . 34.7 tp -143.47 84.36 1.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.418 ' O ' ' C ' ' A' ' 102' ' ' LEU . 95.8 m-85 -60.32 100.16 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.59 HD11 HG21 ' A' ' 46' ' ' THR . 0.0 OUTLIER -38.19 -57.75 1.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.552 HG22 ' H ' ' A' ' 104' ' ' ASN . 11.8 p -162.57 172.21 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.552 ' H ' HG22 ' A' ' 103' ' ' VAL . 1.2 m120 40.24 45.76 1.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 37.47 30.12 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 104' ' ' ASN . 12.0 mt -123.57 -171.62 2.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.467 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 4.2 m-85 41.37 60.45 8.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.491 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.4 Cg_endo -75.01 140.03 24.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.517 1.799 . . . . 0.0 111.043 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.535 ' CD2' HD12 ' A' ' 102' ' ' LEU . 4.0 mm? -117.81 115.64 25.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 97.6 m -82.48 129.99 35.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.367 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.492 HD11 HD22 ' A' ' 17' ' ' LEU . 21.2 tp -87.39 130.15 34.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.587 ' C ' HD21 ' A' ' 96' ' ' LEU . 20.3 mmt180 -131.93 178.88 6.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.665 ' CZ3' ' CD ' ' A' ' 67' ' ' ARG . 7.0 t-105 -135.18 144.94 47.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.155 . . . . 0.0 108.024 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.5 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 14.7 t . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.586 HD22 HD11 ' A' ' 111' ' ' LEU . 16.5 mt . . . . . 0 N--CA 1.453 -0.29 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.547 ' HE1' ' N ' ' A' ' 114' ' ' SER . 64.1 p-90 -166.96 163.27 16.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 107.99 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.1 mt -109.23 136.02 49.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.985 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.858 0 N-CA-C 110.966 -0.436 . . . . 0.0 110.966 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 110.95 3.21 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 mp -83.58 144.9 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -105.3 119.69 39.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.846 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 2.0 mt -69.89 153.89 95.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 124.65 8.76 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.401 ' C ' ' N ' ' A' ' 35' ' ' GLY . 2.2 m -78.4 -30.31 47.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.945 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -45.94 -26.47 0.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 33' ' ' SER . . . 117.14 -7.46 16.63 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -54.18 175.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.745 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.742 ' HB1' ' CG ' ' A' ' 59' ' ' GLU . . . -122.9 125.85 46.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 38' ' ' LEU . 9.9 tp -94.96 104.16 16.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.705 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.9 t -71.11 123.3 24.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.466 HD12 HD13 ' A' ' 60' ' ' LEU . 13.6 mt -102.62 170.99 7.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.96 -157.25 27.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.447 1.092 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 -58.64 139.03 56.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 0.738 . . . . 0.0 110.275 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.22 -175.11 21.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.36 8.99 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.494 1.786 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.4 mp -60.4 -61.63 2.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.605 HG21 HD11 ' A' ' 102' ' ' LEU . 47.4 p -114.97 8.12 15.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.392 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 65.74 23.6 11.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.292 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.518 HG11 ' SG ' ' A' ' 53' ' ' CYS . 47.6 t -84.05 129.13 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.2 p -127.2 33.22 4.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.406 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -93.05 128.02 38.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.357 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -59.14 -33.68 71.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.347 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.44 ' O ' ' ND2' ' A' ' 77' ' ' ASN . 8.8 mttt -62.42 -21.02 65.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.518 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -80.87 143.65 32.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 108.334 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -117.06 132.23 56.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 110.045 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.5 OUTLIER -37.48 -36.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.705 ' HA ' HG13 ' A' ' 39' ' ' VAL . 1.7 m120 -121.57 57.28 1.03 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.409 ' HG3' HG13 ' A' ' 58' ' ' VAL . 35.0 tp60 -60.5 -53.56 56.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.263 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.577 HG12 ' HA ' ' A' ' 73' ' ' GLN . 2.7 m -140.14 162.31 24.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.972 ' HB2' HD11 ' A' ' 74' ' ' LEU . 3.4 tt0 -114.22 108.09 16.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.487 HD11 HD21 ' A' ' 100' ' ' LEU . 1.8 mp -88.65 142.26 27.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.618 HG12 ' HB2' ' A' ' 37' ' ' ALA . 88.2 mt -140.07 118.88 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.846 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -75.04 128.49 35.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -121.85 87.73 46.87 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.96 8.24 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.431 1.753 . . . . 0.0 111.054 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 65' ' ' GLU . 2.7 tp10 -78.06 -30.29 49.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.62 ' O ' HG23 ' A' ' 68' ' ' THR . 0.4 OUTLIER -145.65 26.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 110.012 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.68 ' HB3' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER 46.98 38.31 6.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.62 HG23 ' O ' ' A' ' 66' ' ' SER . 2.2 p -115.65 174.9 5.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.421 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.618 HG13 ' O ' ' A' ' 61' ' ' ILE . 99.2 t -151.51 140.31 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -102.1 139.99 36.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.557 HG11 HD11 ' A' ' 100' ' ' LEU . 70.1 t -124.76 111.47 28.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 3.2 tttt -112.27 120.08 40.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.577 ' HA ' HG12 ' A' ' 58' ' ' VAL . 38.0 tt0 -78.62 118.95 21.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.972 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -118.1 3.37 12.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.24 -141.1 9.93 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.533 1.145 . . . . 0.0 111.012 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -123.31 -52.59 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 52' ' ' LYS . 68.4 m-80 -64.75 139.41 97.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.452 ' HA ' ' OE1' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.95 129.34 12.3 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 86' ' ' LEU . 6.4 m -95.48 159.21 15.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 27.5 m -117.36 113.72 22.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 110.433 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.759 HG13 HD12 ' A' ' 94' ' ' LEU . 24.3 t -94.62 81.14 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 98.52 -94.74 1.51 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.559 1.162 . . . . 0.0 110.961 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.1 p -133.34 16.28 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 109.282 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -125.18 137.62 54.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.237 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.56 147.26 28.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 79' ' ' SER . 12.5 mt -106.37 -172.91 2.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.51 ' HB2' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -142.13 171.21 7.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 112.57 3.59 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.797 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.01 0.99 59.83 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.51 HD22 ' HB2' ' A' ' 87' ' ' LYS . 4.9 tp -82.58 -179.14 7.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 0.749 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.38 134.39 8.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 110.012 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.72 -167.8 11.96 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.446 1.091 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.8 p -133.35 148.48 51.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 0.745 . . . . 0.0 109.973 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.759 HD12 HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -122.87 129.86 52.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.2 m -97.49 154.49 17.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.68 HD12 ' HB3' ' A' ' 67' ' ' ARG . 4.9 mt -52.56 100.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 125.28 -26.82 5.44 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.569 1.168 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -60.96 150.57 32.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 109.332 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 100' ' ' LEU . 94.1 t -96.36 166.26 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.649 HD13 HG22 ' A' ' 81' ' ' VAL . 44.5 tp -144.86 86.82 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 102' ' ' LEU . 91.3 m-85 -63.77 100.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.684 HD12 ' CD1' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -35.65 -58.42 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.543 HG22 ' H ' ' A' ' 104' ' ' ASN . 12.3 p -166.13 171.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.543 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.5 OUTLIER 41.9 43.02 2.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 40.71 26.38 0.14 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.528 1.142 . . . . 0.0 110.964 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 104' ' ' ASN . 28.4 mt -121.88 -170.99 2.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.46 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 7.1 m-85 38.4 60.77 4.9 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.46 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.2 Cg_endo -74.98 172.34 16.54 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.496 1.787 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.684 ' CD1' HD12 ' A' ' 102' ' ' LEU . 1.3 mp -153.62 133.93 13.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 99.2 m -96.54 130.59 43.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.586 HD11 HD22 ' A' ' 17' ' ' LEU . 20.1 tp -87.29 121.28 29.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -129.06 164.42 23.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.492 ' HB3' HD11 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -135.46 133.79 38.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 108.027 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.547 ' N ' ' HE1' ' A' ' 18' ' ' TRP . 7.9 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.961 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.598 HD22 HD11 ' A' ' 111' ' ' LEU . 9.2 mt . . . . . 0 N--CA 1.453 -0.314 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.456 ' HE1' ' N ' ' A' ' 114' ' ' SER . 40.7 p-90 -166.82 159.84 14.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 108.033 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.517 ' HG ' HD21 ' A' ' 31' ' ' LEU . 12.1 mt -106.88 126.81 52.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.981 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.452 -0.916 0 N-CA-C 111.011 -0.419 . . . . 0.0 111.011 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 112.92 3.67 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.465 1.771 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 mp -85.83 143.69 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -106.55 106.06 16.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.894 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 1.1 mt -55.72 161.48 3.24 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.749 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.2 Cg_endo -74.99 156.68 43.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.463 1.77 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.414 ' C ' ' N ' ' A' ' 35' ' ' GLY . 89.2 p -104.92 -34.59 7.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.029 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -43.61 -28.5 0.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 33' ' ' SER . . . 120.16 -1.99 12.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -55.71 175.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.675 ' HB1' ' CG ' ' A' ' 59' ' ' GLU . . . -124.86 125.82 44.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 38' ' ' LEU . 8.9 tp -94.27 104.71 16.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.681 HG23 ' OE1' ' A' ' 59' ' ' GLU . 2.0 t -73.51 122.57 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.511 HD12 HD13 ' A' ' 60' ' ' LEU . 14.2 mt -103.65 170.41 7.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.457 ' HA2' HD21 ' A' ' 102' ' ' LEU . . . 148.68 -143.62 11.21 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -71.37 139.63 49.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 110.272 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.63 -175.89 20.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.32 9.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 111.061 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mp -60.98 -60.32 3.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.527 HG21 HD11 ' A' ' 102' ' ' LEU . 52.0 p -116.33 10.39 14.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.411 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.1 mm-40 65.6 21.88 11.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.7 t -86.56 126.94 40.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.117 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.8 p -126.71 17.07 7.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.422 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -75.17 134.59 41.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.0 mtp-105 -64.24 -40.71 96.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.23 -31.21 31.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.513 ' SG ' HD23 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -71.51 175.5 5.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 108.291 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 57' ' ' GLN . 0.2 OUTLIER -153.13 132.95 13.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -38.66 -34.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.584 ' HA ' HG13 ' A' ' 39' ' ' VAL . 4.3 m-80 -118.97 54.19 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.351 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.502 ' HG3' HG13 ' A' ' 58' ' ' VAL . 42.7 tp60 -64.39 -51.79 61.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.626 HG12 ' HA ' ' A' ' 73' ' ' GLN . 5.1 m -141.51 169.08 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.874 ' HB2' HD11 ' A' ' 74' ' ' LEU . 2.0 tt0 -122.57 110.56 15.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.52 HD11 HD21 ' A' ' 100' ' ' LEU . 0.6 OUTLIER -93.06 143.18 26.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.577 HG12 ' HB2' ' A' ' 37' ' ' ALA . 96.5 mt -140.23 119.03 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.894 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.42 122.57 23.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -119.3 88.38 37.66 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.02 8.2 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.788 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -69.16 -39.46 78.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.7 m -141.33 26.31 1.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.029 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.643 ' HB3' HD12 ' A' ' 96' ' ' LEU . 1.8 mpp_? 52.22 46.59 26.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.475 ' C ' HG23 ' A' ' 69' ' ' VAL . 1.5 p -120.73 176.02 5.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.417 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.475 HG23 ' C ' ' A' ' 68' ' ' THR . 87.2 t -156.14 126.43 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.71 144.78 25.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.595 HG11 HD11 ' A' ' 100' ' ' LEU . 94.8 t -130.32 111.17 20.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 9.0 ttmm -110.94 121.44 45.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.626 ' HA ' HG12 ' A' ' 58' ' ' VAL . 30.4 tt0 -76.84 121.27 23.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.874 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -118.14 -1.96 11.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -87.72 -137.7 5.57 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -126.21 -53.58 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.465 ' CB ' HG23 ' A' ' 103' ' ' VAL . 68.6 m-80 -63.74 139.28 97.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.36 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.44 ' HA ' ' OE1' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.95 124.97 9.05 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.491 1.785 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.62 159.17 18.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.965 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 88.9 m -116.46 107.27 14.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.382 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.772 HG13 ' CD1' ' A' ' 94' ' ' LEU . 46.0 t -90.92 85.38 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.69 -96.32 2.07 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.452 1.095 . . . . 0.0 110.97 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.1 p -132.91 18.6 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.442 0.73 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -125.06 138.77 54.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -85.32 136.17 33.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.256 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.42 HD11 HG21 ' A' ' 81' ' ' VAL . 11.4 mt -95.17 -172.31 2.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.456 ' HB2' HD22 ' A' ' 90' ' ' LEU . 1.1 mtpt -145.18 172.62 5.13 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 113.95 3.91 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.513 1.796 . . . . 0.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.65 3.65 62.49 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.456 HD22 ' HB2' ' A' ' 87' ' ' LYS . 5.5 tp -85.19 178.67 7.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.75 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.89 133.07 6.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -132.82 -168.82 12.07 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.7 p -128.15 150.37 50.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 0.737 . . . . 0.0 110.014 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.772 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -124.29 119.48 29.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.0 m -86.98 152.2 22.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.944 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.643 HD12 ' HB3' ' A' ' 67' ' ' ARG . 3.9 mt -50.53 103.55 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 123.69 -32.36 4.28 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.4 154.41 4.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 0.726 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.482 HG12 ' N ' ' A' ' 100' ' ' LEU . 67.5 t -100.89 164.37 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.595 HD11 HG11 ' A' ' 71' ' ' VAL . 60.7 tp -143.3 86.94 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 102' ' ' LEU . 87.7 m-85 -64.7 99.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.643 HD12 ' CD1' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -35.65 -58.14 0.62 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.556 HG22 ' H ' ' A' ' 104' ' ' ASN . 11.9 p -166.11 172.39 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.556 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.9 OUTLIER 40.11 46.09 1.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 37.84 28.87 0.04 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 104' ' ' ASN . 12.1 mt -123.78 -171.03 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.464 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 7.8 m-85 37.9 60.5 4.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.464 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.3 Cg_endo -74.96 174.05 13.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.541 1.811 . . . . 0.0 111.039 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.643 ' CD1' HD12 ' A' ' 102' ' ' LEU . 1.6 mp -153.76 135.5 14.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.3 m -98.78 126.35 44.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.393 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.598 HD11 HD22 ' A' ' 17' ' ' LEU . 26.6 tp -81.8 114.5 20.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -118.27 164.98 14.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.332 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.527 ' C ' ' CD1' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -137.17 135.49 37.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 108.034 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.456 ' N ' ' HE1' ' A' ' 18' ' ' TRP . 5.3 t . . . . . 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.439 HD22 HD11 ' A' ' 111' ' ' LEU . 6.9 mt . . . . . 0 N--CA 1.453 -0.284 0 N-CA-C 109.326 -0.62 . . . . 0.0 109.326 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.462 ' C ' HD13 ' A' ' 19' ' ' LEU . 62.1 p-90 -165.2 150.57 9.42 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.561 ' N ' HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -93.16 148.63 21.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.268 -179.996 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.453 -0.887 0 N-CA-C 110.948 -0.443 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 111.9 3.44 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.549 1.815 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.513 HD11 ' O ' ' A' ' 45' ' ' LEU . 3.1 mp -79.93 112.38 17.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -86.56 108.84 18.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.949 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 1.6 mt -62.37 162.06 21.8 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.758 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.4 Cg_endo -75.02 148.61 35.45 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.491 1.785 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -98.79 -21.56 16.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -56.11 -32.71 64.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.37 -8.07 5.94 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -48.45 176.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.807 ' HB1' ' HG3' ' A' ' 59' ' ' GLU . . . -129.39 120.18 25.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.9 tp -91.78 104.65 17.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.623 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.8 t -75.21 121.92 27.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -96.36 175.41 6.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.44 -151.06 23.17 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.475 1.109 . . . . 0.0 111.038 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -68.36 134.99 51.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 110.296 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.32 -173.83 28.19 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.453 1.096 . . . . 0.0 111.038 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -10.01 20.94 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.453 1.765 . . . . 0.0 110.954 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.513 ' O ' HD11 ' A' ' 29' ' ' ILE . 6.2 mp -54.16 -60.86 2.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.601 HG21 HD11 ' A' ' 102' ' ' LEU . 30.7 p -110.75 4.15 19.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 65.31 19.58 11.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 110.34 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.57 HG11 ' SG ' ' A' ' 53' ' ' CYS . 43.3 t -81.15 133.84 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 40.0 p -131.03 24.72 4.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.375 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 51' ' ' ARG . 27.2 t0 -82.38 134.78 35.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . 0.42 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 60.9 mtt180 -60.39 -46.06 91.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -50.26 -31.1 13.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.356 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.57 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -70.61 135.79 48.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 108.327 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -112.29 133.09 54.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 110.015 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 54' ' ' SER . 9.5 mtt180 -37.6 -36.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.623 ' HA ' HG13 ' A' ' 39' ' ' VAL . 2.0 m120 -123.22 60.74 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -65.81 -46.89 76.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 110.337 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.435 HG12 ' HA ' ' A' ' 73' ' ' GLN . 4.6 m -146.56 158.44 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.905 ' HB2' HD11 ' A' ' 74' ' ' LEU . 10.5 tt0 -111.79 106.42 15.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 110.255 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mp -86.09 141.32 29.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.54 HG12 ' HB2' ' A' ' 37' ' ' ALA . 86.5 mt -137.84 119.29 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.949 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.02 130.74 40.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -129.81 85.02 59.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 0.79 8.49 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.467 1.772 . . . . 0.0 111.039 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -65.91 -32.59 74.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.273 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.46 ' O ' HG23 ' A' ' 68' ' ' THR . 58.2 m -152.16 35.38 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.4 mpp_? 45.02 67.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.334 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 66' ' ' SER . 1.5 p -144.61 177.27 8.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.392 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.445 HG23 ' C ' ' A' ' 68' ' ' THR . 89.2 t -154.1 138.5 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -100.26 143.44 30.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.521 HG21 ' CD1' ' A' ' 94' ' ' LEU . 94.1 t -128.59 123.17 59.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 4.7 ttpt -122.55 120.18 33.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.435 ' HA ' HG12 ' A' ' 58' ' ' VAL . 36.7 tt0 -76.35 116.95 17.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.905 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -118.37 8.23 12.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -99.06 -145.71 19.04 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.55 1.156 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -118.98 -50.44 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.432 ' HB3' HG23 ' A' ' 103' ' ' VAL . 57.8 m-80 -66.19 138.93 96.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 127.52 10.73 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.793 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.2 m -92.25 159.3 15.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.985 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 56.2 m -120.23 114.33 21.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.364 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.745 HG22 HD13 ' A' ' 100' ' ' LEU . 54.3 t -97.7 92.44 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.68 -94.22 1.97 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.428 ' O ' HG22 ' A' ' 83' ' ' VAL . 10.6 p -135.6 21.18 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 0.777 . . . . 0.0 109.247 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -125.21 143.7 50.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.79 135.3 34.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 86' ' ' LEU . 11.0 mt -95.6 -172.17 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.474 ' HB2' HD22 ' A' ' 90' ' ' LEU . 3.2 mttt -146.54 172.34 5.35 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 112.43 3.56 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.483 1.78 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.63 2.26 58.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.474 HD22 ' HB2' ' A' ' 87' ' ' LYS . 5.3 tp -84.61 -179.39 7.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.87 133.57 7.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -133.12 -171.08 12.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.2 m -128.55 154.07 46.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 109.975 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.701 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -128.78 122.35 30.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.2 m -93.83 172.85 7.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.049 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.691 HD11 ' HB3' ' A' ' 113' ' ' TRP . 3.5 mt -63.82 115.85 5.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 108.5 -38.12 3.48 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -44.03 161.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 109.319 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.471 HG12 ' N ' ' A' ' 100' ' ' LEU . 79.4 t -112.14 163.57 8.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.745 HD13 HG22 ' A' ' 81' ' ' VAL . 60.8 tp -144.93 89.4 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.479 ' O ' ' C ' ' A' ' 102' ' ' LEU . 95.1 m-85 -66.8 99.73 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.716 HD12 HD11 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -34.6 -60.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.544 HG22 ' H ' ' A' ' 104' ' ' ASN . 12.3 p -162.97 172.13 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.544 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.5 OUTLIER 41.24 40.61 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 42.83 24.52 0.26 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.477 1.111 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.425 ' N ' ' C ' ' A' ' 104' ' ' ASN . 26.0 mt -118.75 -170.18 1.86 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 0.766 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.51 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 9.2 m-85 38.11 58.26 4.92 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.51 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.1 Cg_endo -75.0 177.12 9.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.514 1.797 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.716 HD11 HD12 ' A' ' 102' ' ' LEU . 4.7 mp -151.97 162.94 40.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 46.4 m -121.92 119.09 30.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.432 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.446 ' O ' HD23 ' A' ' 96' ' ' LEU . 21.3 tp -73.37 116.77 14.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.123 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -117.85 169.46 9.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.691 ' HB3' HD11 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -144.91 127.69 16.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 108.057 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.485 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 28.6 t . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.026 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.663 HD22 HD11 ' A' ' 111' ' ' LEU . 4.2 mt . . . . . 0 N--CA 1.452 -0.338 0 N-CA-C 109.341 -0.614 . . . . 0.0 109.341 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.437 ' CB ' ' O ' ' A' ' 29' ' ' ILE . 38.0 p-90 -165.78 164.26 18.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 107.976 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.836 ' CD2' HD21 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -98.95 145.32 27.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 . . . . . 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.326 179.985 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.863 0 N-CA-C 111.029 -0.412 . . . . 0.0 111.029 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 116.71 4.67 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 110.962 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.465 HD11 ' O ' ' A' ' 45' ' ' LEU . 2.5 mp -81.27 135.67 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -99.6 102.3 13.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.868 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 1.5 mt -60.95 160.29 21.74 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.648 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.3 Cg_endo -75.04 163.86 34.41 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.513 1.797 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.432 ' C ' ' N ' ' A' ' 35' ' ' GLY . 4.2 p -110.4 -36.69 5.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.982 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -41.54 -29.7 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.432 ' N ' ' C ' ' A' ' 33' ' ' SER . . . 118.95 5.31 11.96 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.452 ' O ' HG23 ' A' ' 61' ' ' ILE . 32.0 mt-30 -62.13 164.84 6.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 0.744 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.735 ' HB1' ' HG2' ' A' ' 59' ' ' GLU . . . -110.06 118.0 35.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.5 HD23 HD22 ' A' ' 31' ' ' LEU . 16.9 tp -91.26 104.81 17.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.445 HG13 ' HA ' ' A' ' 56' ' ' ASN . 0.9 OUTLIER -71.83 147.5 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.641 HD12 HD13 ' A' ' 60' ' ' LEU . 14.6 mt -127.91 173.82 9.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.465 ' HA2' ' CD2' ' A' ' 102' ' ' LEU . . . 148.48 -150.1 22.22 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -63.07 137.75 58.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 0.728 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 142.87 -175.97 22.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -13.5 21.23 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.502 1.79 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.465 ' O ' HD11 ' A' ' 29' ' ' ILE . 2.7 mt -52.86 -57.35 10.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.817 HG21 HD11 ' A' ' 102' ' ' LEU . 81.3 p -112.66 9.71 19.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.368 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.6 mm-40 57.61 26.11 12.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.579 HG11 ' SG ' ' A' ' 53' ' ' CYS . 69.8 t -91.42 131.15 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.0 p -128.03 24.07 6.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.438 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.05 127.91 35.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.3 mmm-85 -52.18 -45.45 65.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -50.94 -23.18 2.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.579 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -88.06 109.32 19.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 108.31 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.05 139.48 30.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 55' ' ' ARG . 27.9 mtm105 -37.97 -33.72 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.122 . . . . 0.0 110.317 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.445 ' HA ' HG13 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -124.65 57.44 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -64.76 -41.45 95.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -144.93 175.58 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 0.0 109.246 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.861 ' HB2' HD11 ' A' ' 74' ' ' LEU . 25.8 tt0 -132.02 111.04 11.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.804 HD21 HD23 ' A' ' 100' ' ' LEU . 4.1 mp -95.87 137.09 35.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.728 ' O ' HG13 ' A' ' 69' ' ' VAL . 2.3 mp -134.21 121.7 38.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.868 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.75 121.82 22.33 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -121.47 86.46 44.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 0.49 8.84 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.489 1.784 . . . . 0.0 110.959 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.73 -40.95 98.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.258 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 m -142.77 36.81 1.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.995 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.639 ' HB3' HD12 ' A' ' 96' ' ' LEU . 7.7 mtp180 45.36 62.81 2.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.55 176.72 9.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.366 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.728 HG13 ' O ' ' A' ' 61' ' ' ILE . 97.4 t -150.18 137.68 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -93.13 144.96 24.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.716 HG21 HD13 ' A' ' 94' ' ' LEU . 23.1 t -132.41 116.55 28.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -117.69 126.82 53.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.42 ' HG2' ' HA ' ' A' ' 88' ' ' PRO . 32.1 tt0 -80.94 114.53 19.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.861 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -116.29 -4.14 11.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.96 -140.04 6.06 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.552 1.157 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.3 p -127.67 -52.99 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.509 ' HB3' HG23 ' A' ' 103' ' ' VAL . 4.7 m-80 -60.13 143.74 88.06 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 122.46 7.23 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.798 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.1 m -89.92 158.99 17.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.943 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 88.4 m -122.63 114.55 20.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.4 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.771 HG13 ' CD1' ' A' ' 94' ' ' LEU . 40.0 t -96.1 87.89 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.09 -93.66 1.92 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.432 ' O ' HG22 ' A' ' 83' ' ' VAL . 10.9 p -134.02 19.54 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 0.766 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.417 ' HG2' ' N ' ' A' ' 85' ' ' GLU . 0.6 OUTLIER -124.9 136.41 53.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.417 ' N ' ' HG2' ' A' ' 84' ' ' GLN . 0.2 OUTLIER -83.82 141.68 31.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.31 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.1 mt -101.66 -172.25 2.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.541 ' HB2' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -148.05 172.85 4.72 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.42 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -75.06 114.55 4.05 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.531 1.806 . . . . 0.0 111.034 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.68 3.68 62.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.541 HD22 ' HB2' ' A' ' 87' ' ' LYS . 5.2 tp -85.01 -178.69 6.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 0.775 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.79 133.4 7.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.174 . . . . 0.0 109.981 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -133.21 -172.68 13.04 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 24.4 p -132.62 146.08 51.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.764 . . . . 0.0 110.044 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.771 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -116.18 130.35 56.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.4 m -94.26 161.62 14.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.127 . . . . 0.0 109.997 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.639 HD12 ' HB3' ' A' ' 67' ' ' ARG . 3.6 mt -59.59 107.93 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 112.83 -23.23 15.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -61.2 157.29 16.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.506 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 80.7 t -105.8 162.01 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.804 HD23 HD21 ' A' ' 60' ' ' LEU . 24.9 tp -144.7 85.73 1.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 102' ' ' LEU . 99.7 m-85 -62.1 99.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.817 HD11 HG21 ' A' ' 46' ' ' THR . 0.0 OUTLIER -37.99 -59.0 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.567 HG22 ' H ' ' A' ' 104' ' ' ASN . 12.9 p -159.58 172.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.078 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.567 ' H ' HG22 ' A' ' 103' ' ' VAL . 1.4 m120 39.7 45.6 1.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 104' ' ' ASN . . . 37.05 30.23 0.04 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 104' ' ' ASN . 11.7 mt -122.26 -172.02 2.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.315 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.472 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 5.8 m-85 42.05 60.21 9.36 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.506 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.2 Cg_endo -75.0 134.17 17.47 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.545 1.813 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.694 ' CD2' HD12 ' A' ' 102' ' ' LEU . 4.1 mm? -110.56 113.25 25.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 13.4 m -85.45 121.02 27.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.408 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.663 HD11 HD22 ' A' ' 17' ' ' LEU . 18.7 tp -76.24 124.36 27.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -122.83 162.2 22.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.544 ' CB ' HD11 ' A' ' 96' ' ' LEU . 0.7 OUTLIER -132.28 128.82 38.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 107.986 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.1 t . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.957 -179.987 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.815 HD22 HD11 ' A' ' 111' ' ' LEU . 5.4 mt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.298 -0.63 . . . . 0.0 109.298 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 48.7 p-90 -166.85 155.57 10.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 108.0 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.699 ' CD2' HD21 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -92.98 149.04 21.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 . . . . . 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.331 -179.997 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo . . . . . 0 N--CA 1.452 -0.922 0 N-CA-C 111.024 -0.414 . . . . 0.0 111.024 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 110.97 3.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.447 1.762 . . . . 0.0 110.973 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 mp -78.68 118.47 26.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -84.08 105.37 14.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.89 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 3.7 mt -60.67 157.44 37.96 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.528 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.1 Cg_endo -75.07 134.87 18.22 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.515 1.798 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 61.3 p -84.78 -30.47 24.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 110.008 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.28 -32.98 11.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.47 -7.93 7.9 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 0.0 111.047 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -46.73 170.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.896 ' HB1' ' CG ' ' A' ' 59' ' ' GLU . . . -118.55 121.32 39.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 38' ' ' LEU . 8.2 tp -91.04 101.38 14.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.672 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.6 t -70.81 115.2 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.517 HD22 HD13 ' A' ' 60' ' ' LEU . 1.1 mp -93.11 174.05 7.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 137.96 -162.38 25.59 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.472 1.107 . . . . 0.0 110.965 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -48.71 147.77 2.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 0.793 . . . . 0.0 110.333 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 129.82 178.89 15.65 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.459 1.099 . . . . 0.0 111.035 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -1.56 11.39 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.52 1.8 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.1 mp -60.27 -61.13 2.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.527 HG21 HD11 ' A' ' 102' ' ' LEU . 54.8 p -112.11 4.22 17.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.41 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 65.55 25.87 11.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.805 HG11 ' SG ' ' A' ' 53' ' ' CYS . 24.9 t -85.63 130.73 35.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 50' ' ' ASP . 44.1 p -116.82 -30.17 5.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' THR . 51.5 t0 -39.58 124.46 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.564 1.165 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -59.77 -29.06 67.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -59.54 -16.48 25.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.805 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -90.24 121.99 32.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 108.302 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -97.81 136.88 37.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.956 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.69 -32.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.672 ' HA ' HG13 ' A' ' 39' ' ' VAL . 1.2 p30 -123.68 54.85 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.554 ' O ' HG13 ' A' ' 58' ' ' VAL . 46.4 tp60 -65.5 -34.51 78.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.554 HG13 ' O ' ' A' ' 57' ' ' GLN . 3.6 m -155.64 158.09 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.917 ' HB2' HD11 ' A' ' 74' ' ' LEU . 18.0 tt0 -116.71 104.0 10.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.517 HD13 HD22 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -87.08 139.14 30.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.45 HD11 ' HB2' ' A' ' 37' ' ' ALA . 38.9 mt -136.63 119.44 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.89 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.51 125.1 27.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.97 87.98 44.1 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 0.68 8.61 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.577 1.83 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.33 -46.52 79.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.355 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.1 m -138.21 30.1 2.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.023 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.619 ' HB3' HD12 ' A' ' 96' ' ' LEU . 1.7 mpt_? 52.59 50.24 18.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.7 p -124.79 177.02 6.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.394 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.489 ' CG2' HD22 ' A' ' 111' ' ' LEU . 84.9 t -150.76 141.37 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -104.48 138.05 41.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.513 HG21 HD13 ' A' ' 94' ' ' LEU . 48.9 t -131.52 128.19 60.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -129.22 122.99 30.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.442 ' OE1' ' HA ' ' A' ' 78' ' ' PRO . 32.2 tt0 -72.75 119.98 17.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.917 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -121.09 9.74 10.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -104.22 -150.33 20.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.096 . . . . 0.0 111.013 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 77' ' ' ASN . 13.5 p -112.49 -51.64 5.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.529 0.782 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.51 ' N ' HG13 ' A' ' 76' ' ' VAL . 33.2 m-80 -65.07 141.2 98.27 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.442 ' HA ' ' OE1' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -75.0 133.12 16.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.788 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.9 m -97.53 159.51 14.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.6 m -121.09 109.56 15.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.38 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.861 HG22 HD13 ' A' ' 100' ' ' LEU . 11.1 t -92.9 80.5 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 100.04 -96.6 1.64 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.4 p -133.75 19.47 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 0.769 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -125.1 140.09 53.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -84.58 142.41 29.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 86' ' ' LEU . 12.7 mt -102.85 -176.62 3.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 73' ' ' GLN . 7.9 mttt -141.19 172.13 6.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 110.28 3.09 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.32 2.48 56.72 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.521 1.138 . . . . 0.0 110.959 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 90' ' ' LEU . 6.2 tp -87.06 167.25 14.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.792 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.13 138.7 28.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -135.44 -169.27 11.81 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 69' ' ' VAL . 36.5 m -134.75 153.75 51.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 0.0 109.965 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.813 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -126.02 130.74 51.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.0 m -95.67 165.29 12.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.619 HD12 ' HB3' ' A' ' 67' ' ' ARG . 4.0 mt -61.19 105.16 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 116.67 -24.84 9.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.499 1.125 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.76 152.42 22.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 0.752 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.494 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 97.6 t -101.33 162.91 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.861 HD13 HG22 ' A' ' 81' ' ' VAL . 39.7 tp -144.95 84.49 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.409 ' O ' ' C ' ' A' ' 102' ' ' LEU . 99.3 m-85 -60.66 100.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.625 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -38.19 -58.73 0.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.594 HG22 ' H ' ' A' ' 104' ' ' ASN . 7.4 p -162.59 173.88 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.594 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.5 OUTLIER 42.94 36.59 0.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 46.26 23.43 1.21 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 30.8 mt -119.82 -171.55 2.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.475 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 2.5 m-85 43.47 59.83 11.56 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.494 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.2 Cg_endo -75.05 133.97 17.17 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 0.0 110.957 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.625 ' CD2' HD12 ' A' ' 102' ' ' LEU . 4.1 mm? -111.09 104.35 12.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.416 ' O ' ' HA ' ' A' ' 19' ' ' LEU . 3.1 m -77.92 129.42 35.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.423 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.815 HD11 HD22 ' A' ' 17' ' ' LEU . 10.2 tp -81.52 130.79 35.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.506 ' N ' HD12 ' A' ' 111' ' ' LEU . 23.0 mmt180 -129.25 165.9 20.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.533 ' CB ' HD21 ' A' ' 96' ' ' LEU . 2.3 t-105 -141.64 127.07 18.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 108.007 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.444 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 3.5 t . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.991 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mt . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 109.292 -0.633 . . . . 0.0 109.292 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . 0.486 ' C ' HD13 ' A' ' 19' ' ' LEU . 50.6 p-90 -163.99 163.52 23.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 108.001 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.73 HD21 HD21 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -104.28 146.21 29.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 . . . . . 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.94 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 111.003 -0.422 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 118.45 5.27 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.524 1.802 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 mp -79.97 113.04 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.076 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -87.21 108.96 19.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.864 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 3.2 mt -62.51 153.89 75.24 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.632 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.3 Cg_endo -74.99 164.11 34.03 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.504 1.791 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.426 ' C ' ' N ' ' A' ' 35' ' ' GLY . 96.6 p -107.04 -35.36 6.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.976 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -43.91 -27.36 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.426 ' N ' ' C ' ' A' ' 33' ' ' SER . . . 114.12 5.2 21.82 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -58.94 169.73 0.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.929 ' HB1' ' CG ' ' A' ' 59' ' ' GLU . . . -115.28 117.78 31.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 60' ' ' LEU . 9.0 tp -90.99 106.38 18.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.663 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.7 t -74.0 134.91 28.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.52 HD12 HD13 ' A' ' 60' ' ' LEU . 13.5 mt -117.21 163.74 15.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.74 -147.59 16.9 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.458 1.099 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -65.12 141.6 58.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 0.742 . . . . 0.0 110.269 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.84 -173.87 22.96 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -7.69 19.4 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.783 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.3 mp -54.91 -61.67 2.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.143 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.696 ' OG1' HG23 ' A' ' 48' ' ' VAL . 15.5 p -112.14 6.89 19.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 65.12 14.96 9.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.696 HG23 ' OG1' ' A' ' 46' ' ' THR . 53.0 t -75.71 133.95 30.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.6 p -128.37 10.04 6.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.398 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -69.31 128.61 37.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.5 mtt85 -58.01 -44.29 87.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -49.53 -26.75 3.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.431 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -76.94 142.05 40.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 108.283 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -119.78 133.63 55.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -38.12 -32.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.663 ' HA ' HG13 ' A' ' 39' ' ' VAL . 2.5 p30 -126.1 61.29 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.718 ' HG3' HG13 ' A' ' 58' ' ' VAL . 35.9 tp60 -69.49 -50.41 45.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.718 HG13 ' HG3' ' A' ' 57' ' ' GLN . 15.9 m -140.8 154.27 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.929 ' CG ' ' HB1' ' A' ' 37' ' ' ALA . 30.0 tt0 -107.91 114.22 27.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.52 HD13 HD12 ' A' ' 40' ' ' LEU . 3.8 mp -95.59 139.92 31.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.434 ' CG1' ' HA ' ' A' ' 37' ' ' ALA . 16.9 mt -138.59 121.45 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.864 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.46 129.06 37.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.33 87.75 53.64 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 0.59 8.76 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.53 1.805 . . . . 0.0 110.975 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.7 -39.73 84.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.263 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.464 ' O ' HG23 ' A' ' 68' ' ' THR . 26.5 m -142.6 30.96 1.49 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.98 59.05 4.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 66' ' ' SER . 2.0 p -135.59 176.3 8.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.368 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 61' ' ' ILE . 99.0 t -149.05 127.94 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.43 142.76 27.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.527 HG21 ' CD1' ' A' ' 94' ' ' LEU . 69.1 t -128.59 130.24 68.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.443 ' HG2' HD21 ' A' ' 74' ' ' LEU . 4.4 ttpp -132.5 121.16 22.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.4 ' OE1' ' HA ' ' A' ' 78' ' ' PRO . 36.4 tt0 -78.26 120.16 22.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.878 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -120.59 0.06 10.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.88 -128.28 1.81 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.402 HG13 ' N ' ' A' ' 77' ' ' ASN . 2.7 p -137.07 -52.52 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.402 ' N ' HG13 ' A' ' 76' ' ' VAL . 53.8 m-80 -66.36 142.37 97.73 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . 0.4 ' HA ' ' OE1' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -74.98 125.09 9.11 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.781 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 86' ' ' LEU . 4.1 m -93.68 159.26 15.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 110.002 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.482 ' HB ' ' CD2' ' A' ' 101' ' ' TYR . 53.4 m -117.54 116.72 27.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.388 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.762 HG22 HD13 ' A' ' 100' ' ' LEU . 21.3 t -97.77 85.77 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.56 -94.24 1.75 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.414 ' O ' HG22 ' A' ' 83' ' ' VAL . 10.6 p -133.7 16.81 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.59 0.818 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -124.74 141.25 52.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -86.9 147.83 25.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 79' ' ' SER . 12.6 mt -108.38 -172.77 2.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.47 ' HB2' HD22 ' A' ' 90' ' ' LEU . 7.9 mttt -144.35 172.02 6.0 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 112.31 3.53 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.55 1.816 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 98.18 0.66 58.39 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.47 HD22 ' HB2' ' A' ' 87' ' ' LYS . 4.8 tp -82.92 -177.87 6.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 0.741 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -159.29 133.24 7.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.046 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -130.78 -168.82 12.32 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 57.8 p -133.22 151.85 51.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.763 . . . . 0.0 109.985 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.681 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -127.11 129.51 48.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.9 m -100.75 166.32 10.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.962 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.639 HD21 ' CB ' ' A' ' 113' ' ' TRP . 5.3 mt -59.39 104.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 120.07 -33.52 4.52 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.82 155.43 1.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 0.742 . . . . 0.0 109.232 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 100' ' ' LEU . 94.3 t -104.58 161.26 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.762 HD13 HG22 ' A' ' 81' ' ' VAL . 60.9 tp -142.35 89.09 2.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.482 ' CD2' ' HB ' ' A' ' 80' ' ' THR . 90.4 m-85 -65.11 100.11 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.751 HD12 HD11 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -35.29 -58.61 0.56 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.55 HG22 ' H ' ' A' ' 104' ' ' ASN . 12.8 p -165.95 172.36 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.55 ' H ' HG22 ' A' ' 103' ' ' VAL . 1.1 m120 40.43 45.91 1.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 37.16 29.72 0.04 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 106' ' ' LEU . 11.7 mt -124.36 -170.78 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.507 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 9.7 m-85 38.64 58.16 5.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.55 ' C ' HD12 ' A' ' 109' ' ' LEU . 18.2 Cg_endo -75.01 172.79 15.68 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.435 1.755 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.751 HD11 HD12 ' A' ' 102' ' ' LEU . 5.6 mp -146.2 171.07 15.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.8 m -131.07 115.71 16.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.4 tp -70.41 113.0 7.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.452 ' HB2' ' CZ3' ' A' ' 18' ' ' TRP . 30.1 mmt180 -115.38 160.17 20.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.639 ' CB ' HD21 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -131.59 137.74 48.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 108.025 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.3 t . . . . . 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.983 -179.983 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.738 HD22 HD11 ' A' ' 111' ' ' LEU . 1.2 mt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 36.0 p-90 -166.97 158.49 12.49 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.926 ' CD2' HD21 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -97.24 150.94 20.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 . . . . . 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.988 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo . . . . . 0 N--CA 1.453 -0.9 0 N-CA-C 110.993 -0.426 . . . . 0.0 110.993 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 131.68 14.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.472 1.775 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.2 mp -99.15 118.89 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -85.46 112.43 20.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.972 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.95 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 1.0 OUTLIER -62.82 162.2 23.39 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 112.42 3.56 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m -66.1 -28.01 68.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -47.35 -31.87 4.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.66 -7.45 8.93 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 111.023 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -53.84 177.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.567 ' HB2' HG12 ' A' ' 61' ' ' ILE . . . -123.29 121.55 36.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 38' ' ' LEU . 5.9 tp -91.3 129.1 37.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.691 HG13 ' HA ' ' A' ' 56' ' ' ASN . 2.1 t -96.1 116.22 37.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 1.024 HD23 HD13 ' A' ' 60' ' ' LEU . 1.9 mm? -99.41 167.76 10.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.412 ' HA2' HD21 ' A' ' 102' ' ' LEU . . . 147.72 -155.44 26.47 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -58.36 149.3 25.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 110.256 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 123.7 -170.51 15.98 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.421 1.076 . . . . 0.0 110.947 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . 0.451 ' HA ' ' OE1' ' A' ' 47' ' ' GLN . 18.3 Cg_endo -74.99 0.56 8.75 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.534 1.807 . . . . 0.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.79 -62.26 2.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.426 HG23 HD12 ' A' ' 40' ' ' LEU . 66.3 p -121.4 19.66 11.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.424 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . 0.511 ' NE2' ' N ' ' A' ' 47' ' ' GLN . 1.7 mp0 57.0 21.38 6.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.525 HG11 ' SG ' ' A' ' 53' ' ' CYS . 54.1 t -83.26 131.27 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.7 p -132.59 29.09 4.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.389 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -87.5 132.84 33.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -58.61 -41.05 84.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.429 ' O ' ' ND2' ' A' ' 77' ' ' ASN . 11.2 mttt -55.1 -27.24 43.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.525 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -78.15 163.5 25.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 108.301 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -144.46 139.14 28.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.991 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 54' ' ' SER . 3.8 mtm180 -38.38 -37.2 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.691 ' HA ' HG13 ' A' ' 39' ' ' VAL . 1.0 OUTLIER -123.6 64.3 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -72.72 -37.46 67.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.7 m -150.23 163.55 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.989 ' HB2' HD11 ' A' ' 74' ' ' LEU . 1.3 tt0 -119.26 110.61 17.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 1.024 HD13 HD23 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -93.92 144.64 25.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.607 ' O ' HG13 ' A' ' 69' ' ' VAL . 58.9 mt -141.64 118.16 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.95 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.67 129.79 38.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.418 ' OD1' HG22 ' A' ' 61' ' ' ILE . 11.2 m-20 -127.67 86.03 59.36 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.57 8.75 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.7 -45.19 62.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.567 ' O ' HG23 ' A' ' 68' ' ' THR . 0.6 OUTLIER -133.11 29.66 4.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.569 ' HD2' ' CE3' ' A' ' 113' ' ' TRP . 35.5 mmt-85 45.12 55.98 5.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 66' ' ' SER . 2.1 p -134.32 176.83 8.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 110.361 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.607 HG13 ' O ' ' A' ' 61' ' ' ILE . 89.2 t -154.9 138.78 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -100.91 140.31 35.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.077 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.662 HG21 HD13 ' A' ' 94' ' ' LEU . 69.1 t -124.82 114.81 42.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -115.37 120.46 39.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.412 ' HG2' ' HA ' ' A' ' 88' ' ' PRO . 31.0 tt0 -74.98 122.33 23.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 110.328 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.989 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -119.52 0.33 11.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.21 -141.89 11.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -123.44 -52.34 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 52' ' ' LYS . 62.2 m-80 -60.2 140.62 91.13 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 121.85 6.82 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.786 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.5 m -91.14 159.2 16.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.959 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.0 m -120.41 116.71 26.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.393 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.784 HG13 ' CD1' ' A' ' 94' ' ' LEU . 24.2 t -95.55 79.99 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 98.65 -97.39 1.87 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.7 p -129.73 18.39 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -125.15 139.75 53.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -87.59 134.3 33.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 86' ' ' LEU . 11.0 mt -95.27 -172.05 2.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.477 ' HB2' HD22 ' A' ' 90' ' ' LEU . 0.8 OUTLIER -143.63 172.69 5.27 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.412 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.92 114.26 3.99 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.487 1.783 . . . . 0.0 111.022 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.6 3.56 62.63 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.477 HD22 ' HB2' ' A' ' 87' ' ' LYS . 5.3 tp -85.9 -179.43 6.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.62 132.79 6.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.019 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.86 -168.71 12.17 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.2 p -129.18 151.78 49.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.754 . . . . 0.0 110.03 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.784 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -125.19 116.86 22.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.4 m -87.82 152.31 22.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.043 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 mt -47.59 109.86 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 114.92 -27.73 8.49 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.51 150.27 23.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 0.755 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.501 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 58.7 t -100.76 162.13 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.597 HD13 HG22 ' A' ' 81' ' ' VAL . 24.4 tp -141.14 84.45 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.436 ' O ' ' C ' ' A' ' 102' ' ' LEU . 93.7 m-85 -60.73 99.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.724 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -37.76 -58.07 0.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.588 HG22 ' H ' ' A' ' 104' ' ' ASN . 7.2 p -163.84 173.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.588 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.5 OUTLIER 42.81 36.24 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 47.06 22.7 1.36 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.455 1.097 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 40.8 mt -119.29 -171.25 2.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 0.765 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.458 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 3.5 m-85 42.72 61.01 9.71 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.501 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.2 Cg_endo -75.08 135.66 19.21 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.453 1.765 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.724 ' CD2' HD12 ' A' ' 102' ' ' LEU . 4.0 mm? -114.99 94.8 4.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 19' ' ' LEU . 64.6 m -67.7 136.48 54.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.429 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.738 HD11 HD22 ' A' ' 17' ' ' LEU . 16.2 tp -84.77 131.76 34.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -132.93 166.12 23.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.569 ' CE3' ' HD2' ' A' ' 67' ' ' ARG . 11.8 t-105 -126.43 145.28 50.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 108.019 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.408 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 23.4 t . . . . . 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 110.008 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 mt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.304 -0.628 . . . . 0.0 109.304 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -166.96 158.45 12.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 108.035 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.498 ' HG ' HD21 ' A' ' 31' ' ' LEU . 14.2 mt -98.92 143.64 29.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 . . . . . 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.327 179.96 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo . . . . . 0 N--CA 1.453 -0.873 0 N-CA-C 110.985 -0.429 . . . . 0.0 110.985 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 111.72 3.39 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.45 1.763 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.8 mp -83.87 145.27 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -103.92 109.89 21.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.87 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 2.3 mt -60.01 159.56 20.19 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 125.04 9.06 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.537 1.809 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -81.18 -29.39 34.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -47.82 -26.93 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.97 -9.69 11.27 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.546 1.154 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -48.14 175.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 0.783 . . . . 0.0 110.298 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.716 ' HB1' ' CG ' ' A' ' 59' ' ' GLU . . . -123.81 118.84 28.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 38' ' ' LEU . 11.1 tp -93.16 106.36 18.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.588 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.7 t -76.53 122.46 30.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.733 HD23 HD11 ' A' ' 102' ' ' LEU . 1.0 OUTLIER -96.44 174.07 7.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.13 -155.07 26.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -69.7 139.48 53.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.776 . . . . 0.0 110.331 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.88 -174.9 24.07 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -7.65 19.39 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.447 1.761 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.4 mp -56.06 -60.58 3.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.419 ' OG1' HG23 ' A' ' 48' ' ' VAL . 28.1 p -112.57 6.21 18.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 65.66 14.92 9.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.426 HG11 ' SG ' ' A' ' 53' ' ' CYS . 25.2 t -75.9 132.09 33.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 45.9 p -131.8 27.53 4.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.429 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -88.49 129.86 35.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.227 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.74 -45.44 78.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -48.22 -30.32 4.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.478 ' SG ' HD22 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -76.97 150.95 35.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.31 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -126.87 136.38 52.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 0.0 110.031 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -38.43 -30.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.588 ' HA ' HG13 ' A' ' 39' ' ' VAL . 2.4 m120 -130.52 62.31 1.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.75 ' HG3' HG13 ' A' ' 58' ' ' VAL . 34.6 tp60 -67.28 -58.12 5.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.75 HG13 ' HG3' ' A' ' 57' ' ' GLN . 20.5 m -136.9 163.45 32.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 1.017 ' HB2' HD11 ' A' ' 74' ' ' LEU . 15.9 tt0 -115.51 113.55 23.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.821 HD21 HD23 ' A' ' 100' ' ' LEU . 0.6 OUTLIER -94.09 138.73 31.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.619 ' O ' HG13 ' A' ' 69' ' ' VAL . 21.5 mt -138.96 116.66 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.87 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.54 128.47 35.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.11 90.29 50.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.33 9.04 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.797 . . . . 0.0 111.041 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.62 -41.3 72.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.419 ' O ' HG23 ' A' ' 68' ' ' THR . 58.4 m -133.26 23.13 4.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.976 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.0 mpp_? 52.62 43.63 30.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.317 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 66' ' ' SER . 2.3 p -126.83 174.17 9.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 110.427 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' ' 61' ' ' ILE . 48.3 t -142.8 143.02 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -99.15 144.8 27.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.64 HG21 HD22 ' A' ' 100' ' ' LEU . 24.0 t -136.17 112.12 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -113.25 126.77 55.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.503 ' CD ' ' HA ' ' A' ' 88' ' ' PRO . 1.4 tm0? -72.64 125.08 26.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 1.017 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -123.58 -5.01 8.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . 0.479 ' N ' ' OE1' ' A' ' 73' ' ' GLN . . . -93.18 -150.24 26.32 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.1 p -117.63 -47.87 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 0.778 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -66.3 140.88 96.98 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 116.27 4.54 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.781 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.7 m -85.95 150.77 24.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.032 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.9 m -102.21 117.29 34.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.371 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.894 HG13 ' CD2' ' A' ' 94' ' ' LEU . 4.2 t -99.97 75.02 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.6 -96.04 2.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.483 1.115 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.7 p -123.77 13.71 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -124.4 141.94 51.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.077 . . . . 0.0 110.321 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -96.73 123.9 40.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.31 -171.74 3.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.418 ' O ' ' HB3' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -149.34 171.37 6.39 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.503 ' HA ' ' CD ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -75.06 87.56 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 126.1 1.01 7.48 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.45 1.094 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.4 tp -88.62 -177.32 5.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 0.778 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.89 134.31 9.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.984 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -136.12 -174.89 13.54 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.534 1.146 . . . . 0.0 110.96 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.8 p -133.92 153.38 51.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 0.747 . . . . 0.0 109.981 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.894 ' CD2' HG13 ' A' ' 81' ' ' VAL . 2.9 mm? -114.4 145.06 42.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.477 ' CB ' ' OD2' ' A' ' 98' ' ' ASP . 1.4 m -110.99 171.41 7.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.974 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.572 HD21 ' CB ' ' A' ' 113' ' ' TRP . 5.6 mt -68.37 116.0 8.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 100.01 -19.51 52.84 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . 0.477 ' OD2' ' CB ' ' A' ' 95' ' ' SER . 84.7 m-20 -63.94 158.92 21.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.574 HG13 ' HB2' ' A' ' 108' ' ' PRO . 70.5 t -111.0 151.77 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.821 HD23 HD21 ' A' ' 60' ' ' LEU . 12.1 tp -132.13 84.47 2.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 102' ' ' LEU . 89.6 m-85 -60.52 98.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.733 HD11 HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -36.02 -58.55 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.599 HG22 ' H ' ' A' ' 104' ' ' ASN . 8.2 p -164.18 174.01 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.599 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.5 OUTLIER 43.62 33.9 0.74 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.16 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 49.51 21.09 2.92 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 70.3 mt -119.52 -171.34 2.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.749 . . . . 0.0 109.273 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.451 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 3.9 m-85 43.19 61.46 9.8 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.65 ' C ' HD22 ' A' ' 109' ' ' LEU . 18.2 Cg_endo -74.98 145.36 31.42 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.553 1.817 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.65 HD22 ' C ' ' A' ' 108' ' ' PRO . 4.1 mm? -122.28 82.52 1.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.7 m -60.05 135.38 57.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.582 HD12 ' H ' ' A' ' 112' ' ' ARG . 29.1 tp -89.1 141.31 28.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.582 ' H ' HD12 ' A' ' 111' ' ' LEU . 24.3 mmt180 -143.65 149.94 38.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.572 ' CB ' HD21 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -126.63 132.95 51.12 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.4 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.03 179.96 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.421 HD22 HD11 ' A' ' 111' ' ' LEU . 4.3 mt . . . . . 0 N--CA 1.453 -0.321 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.7 p-90 -165.18 151.09 9.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 108.023 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.778 HD22 HD21 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -89.78 145.88 24.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 . . . . . 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.336 179.972 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.886 0 N-CA-C 110.99 -0.427 . . . . 0.0 110.99 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 112.92 3.68 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.535 1.808 . . . . 0.0 110.957 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.606 HD11 ' O ' ' A' ' 45' ' ' LEU . 2.0 mp -76.69 122.93 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -90.6 103.91 16.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.897 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 1.0 OUTLIER -55.35 161.71 2.66 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.697 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.2 Cg_endo -75.08 169.65 22.11 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.511 1.795 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.4 p -113.72 -24.83 8.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 36' ' ' GLN . 1.5 m-20 -75.77 54.79 0.82 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 34' ' ' ASP . . . 32.65 37.63 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.526 ' O ' HG23 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -83.76 176.09 9.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 110.262 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.765 ' HB1' ' HG2' ' A' ' 59' ' ' GLU . . . -126.21 121.21 32.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 38' ' ' LEU . 11.3 tp -100.06 107.98 20.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.703 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.8 t -73.43 129.78 36.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.646 HD12 HD13 ' A' ' 60' ' ' LEU . 14.3 mt -109.57 173.19 6.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 141.91 -155.04 25.24 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -56.49 147.74 21.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 0.73 . . . . 0.0 110.347 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.39 -178.09 18.07 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -6.25 17.82 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.606 ' O ' HD11 ' A' ' 29' ' ' ILE . 0.4 OUTLIER -55.19 -62.19 1.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 81.9 p -112.81 10.47 19.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.39 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 61.02 23.42 13.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.3 t -83.95 127.29 39.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.6 p -123.43 7.82 9.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -70.23 133.42 47.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -32.39 73.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -60.71 -15.58 30.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.402 ' SG ' HD22 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -94.74 137.8 33.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 108.3 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -113.83 141.55 47.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.027 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -38.8 -46.07 1.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 110.288 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.703 ' HA ' HG13 ' A' ' 39' ' ' VAL . 4.3 p30 -113.0 58.42 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . 0.694 ' HG3' HG13 ' A' ' 58' ' ' VAL . 36.2 tp60 -64.13 -53.0 56.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.268 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.694 HG13 ' HG3' ' A' ' 57' ' ' GLN . 14.3 m -140.67 159.34 24.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.989 ' HB2' HD11 ' A' ' 74' ' ' LEU . 19.3 tt0 -112.18 118.01 34.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.646 HD13 HD12 ' A' ' 40' ' ' LEU . 1.7 mp -103.08 132.78 49.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.526 HG23 ' O ' ' A' ' 36' ' ' GLN . 8.3 mt -129.97 121.37 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.897 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.88 135.4 41.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.86 84.74 53.19 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.82 8.44 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.517 1.798 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -74.8 -30.38 61.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.7 m -143.31 16.88 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.953 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.467 ' HG2' ' CE3' ' A' ' 113' ' ' TRP . 1.2 mtt180 55.14 48.51 19.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.454 ' C ' HG23 ' A' ' 69' ' ' VAL . 2.9 p -124.95 177.36 6.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.097 . . . . 0.0 110.364 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.561 HG23 HD21 ' A' ' 111' ' ' LEU . 84.5 t -153.95 131.52 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -93.69 144.76 25.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.758 HG21 HD13 ' A' ' 94' ' ' LEU . 76.8 t -128.76 116.51 41.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 59' ' ' GLU . 8.5 ttpt -122.58 120.66 34.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.419 ' HG2' ' HA ' ' A' ' 88' ' ' PRO . 31.0 tt0 -79.99 118.85 22.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.368 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.989 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -115.4 6.08 14.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -97.38 -145.25 18.75 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -119.28 -50.19 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -61.27 137.63 94.43 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 126.79 10.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.496 1.787 . . . . 0.0 111.056 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 m -97.73 159.17 15.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.023 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 89.2 m -119.81 123.88 44.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.393 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.871 HG22 HD13 ' A' ' 100' ' ' LEU . 13.2 t -103.32 83.65 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.226 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.52 -96.41 2.03 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.17 15.93 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -124.93 136.86 54.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.19 145.08 28.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.325 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 86' ' ' LEU . 12.4 mt -104.75 -172.38 2.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . 0.474 ' HB2' HD22 ' A' ' 90' ' ' LEU . 6.7 mttt -142.97 172.67 5.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.419 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.1 Cg_endo -75.03 113.94 3.91 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.475 1.776 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.32 1.18 62.67 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.539 1.149 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.474 HD22 ' HB2' ' A' ' 87' ' ' LYS . 5.5 tp -83.44 179.85 7.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -156.66 134.93 11.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.961 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.73 -167.83 11.97 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.128 . . . . 0.0 110.954 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.1 p -133.18 153.94 51.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 0.773 . . . . 0.0 109.975 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.764 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -130.33 129.85 43.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.8 p -98.89 160.62 14.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.02 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.523 HD21 ' CB ' ' A' ' 113' ' ' TRP . 3.7 mt -53.3 107.97 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 115.89 -37.94 3.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -48.22 149.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 0.734 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.496 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 61.8 t -99.55 165.38 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.871 HD13 HG22 ' A' ' 81' ' ' VAL . 55.6 tp -145.51 84.91 1.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.431 ' O ' ' C ' ' A' ' 102' ' ' LEU . 97.8 m-85 -61.28 99.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.632 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -38.01 -58.43 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.573 HG22 ' H ' ' A' ' 104' ' ' ASN . 8.9 p -163.54 173.02 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.573 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.5 OUTLIER 44.56 35.66 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 46.48 22.61 1.07 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.115 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.4 ' N ' ' C ' ' A' ' 104' ' ' ASN . 49.5 mt -118.46 -170.78 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 0.78 . . . . 0.0 109.283 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.468 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 3.3 m-85 43.41 60.09 11.28 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.496 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.2 Cg_endo -74.96 132.02 15.0 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.523 1.802 . . . . 0.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.632 ' CD2' HD12 ' A' ' 102' ' ' LEU . 3.9 mm? -110.58 110.6 21.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 19' ' ' LEU . 76.9 m -80.92 130.15 34.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.561 HD21 HG23 ' A' ' 69' ' ' VAL . 49.9 tp -81.12 122.06 26.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -120.99 162.0 20.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.523 ' CB ' HD21 ' A' ' 96' ' ' LEU . 3.4 t-105 -133.79 131.26 39.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 108.037 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.402 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 12.5 t . . . . . 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.992 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt . . . . . 0 N--CA 1.454 -0.268 0 N-CA-C 109.241 -0.651 . . . . 0.0 109.241 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 53.0 p-90 -162.49 160.88 26.69 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LEU . . . . . 0.923 ' CD2' HD21 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -98.02 140.42 32.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 . . . . . 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 110.281 179.995 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo . . . . . 0 N--CA 1.453 -0.872 0 N-CA-C 111.006 -0.421 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 116.7 4.66 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.531 1.806 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.9 mp -89.11 140.39 15.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -107.29 123.67 48.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.939 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' LEU . . . . . 0.923 HD21 ' CD2' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -77.69 164.01 60.22 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PRO . . . . . 0.587 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.2 Cg_endo -74.99 148.24 35.04 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.504 1.792 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.1 p -93.32 -35.09 13.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.36 -32.8 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.18 -2.28 6.72 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.518 1.136 . . . . 0.0 111.047 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLN . . . . . 0.418 ' HB2' ' CG ' ' A' ' 32' ' ' PRO . 16.5 mt-30 -52.83 172.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 0.784 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . 0.786 ' HB1' ' HG2' ' A' ' 59' ' ' GLU . . . -124.0 124.52 42.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 38' ' ' LEU . 7.5 tp -97.52 106.46 18.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.769 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.8 t -71.27 132.67 33.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.364 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.836 HD12 HD13 ' A' ' 60' ' ' LEU . 15.0 mt -120.26 154.36 35.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' GLY . . . . . 0.457 ' HA2' ' CD2' ' A' ' 102' ' ' LEU . . . 162.19 -142.74 8.18 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.473 1.108 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 0.7 OUTLIER -65.6 141.0 58.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 0.787 . . . . 0.0 110.284 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.69 -170.88 21.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -1.75 11.63 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.543 1.812 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.06 -62.04 2.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' THR . . . . . 0.598 HG21 HD11 ' A' ' 102' ' ' LEU . 68.5 p -119.16 12.68 12.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.368 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 65.52 11.49 7.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.565 HG11 ' SG ' ' A' ' 53' ' ' CYS . 13.1 t -73.18 126.59 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.432 ' O ' ' OG1' ' A' ' 49' ' ' THR . 1.4 t -132.81 38.9 3.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.429 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -103.22 131.02 50.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.7 mtm105 -55.24 -40.65 71.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LYS . . . . . 0.449 ' O ' ' ND2' ' A' ' 77' ' ' ASN . 7.8 mmtm -52.04 -30.92 27.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . 0.565 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -77.38 173.84 11.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.083 . . . . 0.0 108.288 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -151.98 136.5 16.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.019 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ARG . . . . . 0.457 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 0.7 OUTLIER -37.69 -32.22 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ASN . . . . . 0.769 ' HA ' HG13 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -123.07 59.8 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -69.22 -35.87 76.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -151.02 169.19 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLU . . . . . 0.786 ' HG2' ' HB1' ' A' ' 37' ' ' ALA . 4.1 tt0 -123.65 100.13 6.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LEU . . . . . 0.836 HD13 HD12 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -83.75 135.83 34.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ILE . . . . . 0.601 ' O ' HG13 ' A' ' 69' ' ' VAL . 4.7 mt -136.64 119.67 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.288 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . 0.864 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.08 115.08 13.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ASP . . . . . 0.433 ' OD1' HG22 ' A' ' 61' ' ' ILE . 0.6 OUTLIER -116.67 86.09 18.16 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 0.88 8.4 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.501 1.79 . . . . 0.0 110.952 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.48 -28.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' SER . . . . . 0.551 ' O ' ' CB ' ' A' ' 67' ' ' ARG . 0.4 OUTLIER -162.91 -47.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.052 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ARG . . . . . 0.551 ' CB ' ' O ' ' A' ' 66' ' ' SER . 0.0 OUTLIER 154.28 70.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.3 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.469 HG23 ' C ' ' A' ' 67' ' ' ARG . 40.0 p -154.48 177.76 10.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.393 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' VAL . . . . . 0.601 HG13 ' O ' ' A' ' 61' ' ' ILE . 69.1 t -154.82 138.84 8.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.429 1.081 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ALA . . . . . 0.528 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . . . -91.02 146.01 24.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' VAL . . . . . 0.855 HG21 HD13 ' A' ' 94' ' ' LEU . 82.2 t -137.27 103.78 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 59' ' ' GLU . 1.2 ttmp? -107.44 123.36 48.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.425 ' HG2' ' HA ' ' A' ' 88' ' ' PRO . 35.6 tt0 -79.24 108.31 12.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.519 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -99.93 -3.19 32.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -87.77 -142.62 7.98 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 110.95 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -125.91 -52.71 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 0.784 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.485 ' HB3' HG23 ' A' ' 103' ' ' VAL . 37.9 m-80 -58.24 142.32 81.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.17 9.81 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.4 t -98.13 157.94 15.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.001 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 84' ' ' GLN . 87.0 m -116.66 107.5 14.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.844 HG13 ' CD1' ' A' ' 94' ' ' LEU . 5.0 t -89.57 74.1 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 106.67 -98.02 1.29 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.05 17.58 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 80' ' ' THR . 14.8 tt0 -124.78 140.87 52.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -86.38 136.2 33.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 86' ' ' LEU . 12.7 mt -99.84 -172.66 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -141.06 169.58 11.19 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' PRO . . . . . 0.425 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -75.05 98.24 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 113.66 2.67 24.05 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.448 ' HA ' HD12 ' A' ' 90' ' ' LEU . 5.9 tp -87.2 178.66 6.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.757 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.55 134.92 10.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.985 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -134.74 -167.87 11.54 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.46 1.1 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.2 m -126.25 143.93 50.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 0.763 . . . . 0.0 110.037 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' LEU . . . . . 0.855 HD13 HG21 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -118.43 119.83 35.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' SER . . . . . 0.537 ' C ' HD23 ' A' ' 111' ' ' LEU . 3.1 m -86.46 164.78 16.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.406 HD21 ' C ' ' A' ' 112' ' ' ARG . 9.8 mt -65.38 107.96 1.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 119.36 -29.89 5.99 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.426 1.079 . . . . 0.0 110.966 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.19 171.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 82' ' ' GLY . 19.2 t -121.62 149.91 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.652 ' CD2' HD11 ' A' ' 60' ' ' LEU . 10.5 tp -128.7 86.74 2.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' TYR . . . . . 0.506 ' O ' ' C ' ' A' ' 102' ' ' LEU . 90.2 m-85 -62.64 96.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 111.043 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' LEU . . . . . 0.761 HD12 HD11 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -32.22 -59.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.543 HG22 ' N ' ' A' ' 104' ' ' ASN . 14.4 p -164.56 171.74 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' ASN . . . . . 0.543 ' N ' HG22 ' A' ' 103' ' ' VAL . 0.5 OUTLIER 41.52 42.78 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 40.18 26.4 0.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.515 1.135 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 104' ' ' ASN . 28.6 mt -119.91 -170.2 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 0.764 . . . . 0.0 109.285 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' TYR . . . . . 0.493 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 11.3 m-85 37.45 58.89 4.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' PRO . . . . . 0.559 ' C ' HD12 ' A' ' 109' ' ' LEU . 18.3 Cg_endo -74.97 -178.4 4.14 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.5 1.789 . . . . 0.0 110.958 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.761 HD11 HD12 ' A' ' 102' ' ' LEU . 5.2 mp -153.08 173.16 15.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.353 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 91.4 m -133.33 103.42 5.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.401 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LEU . . . . . 0.537 HD23 ' C ' ' A' ' 95' ' ' SER . 43.3 tp -60.31 130.84 48.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' ARG . . . . . 0.406 ' C ' HD21 ' A' ' 96' ' ' LEU . 21.0 mmt180 -133.19 168.09 19.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' TRP . . . . . 0.451 ' C ' ' CD1' ' A' ' 113' ' ' TRP . 0.3 OUTLIER -130.7 150.39 51.91 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' SER . . . . . 0.443 ' O ' ' NE1' ' A' ' 113' ' ' TRP . 5.1 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.955 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -124.05 108.9 12.86 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 0.742 . . . . 0.0 110.017 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.3 t -63.19 -58.44 7.2 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.511 1.132 . . . . 0.0 110.029 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 67.62 -146.55 47.21 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.498 1.124 . . . . 0.0 110.953 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.12 123.94 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.495 0.762 . . . . 0.0 109.992 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 49.4 m 63.25 161.58 0.1 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.458 1.099 . . . . 0.0 109.996 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.39 -73.77 0.13 Allowed Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.499 1.124 . . . . 0.0 110.958 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.2 mtp -168.45 156.35 8.18 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 0.764 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 175.17 135.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.027 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -168.65 124.97 0.98 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 110.298 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 97.4 mt -86.24 -65.25 1.03 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.317 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -130.97 -161.11 10.18 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.502 1.126 . . . . 0.0 111.006 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 73.4 m -85.44 -30.49 23.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 0.758 . . . . 0.0 109.968 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 15.0 mtm180 46.65 -172.84 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.525 1.141 . . . . 0.0 110.296 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -177.56 -161.52 26.09 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.47 1.106 . . . . 0.0 111.001 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.6 ttt180 -145.29 145.06 31.1 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.509 0.77 . . . . 0.0 110.286 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.478 HD22 HD11 ' A' ' 111' ' ' LEU . 9.7 mt -84.61 150.07 25.42 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.135 . . . . 0.0 109.36 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.527 ' CZ2' ' HB3' ' A' ' 112' ' ' ARG . 50.8 p-90 -166.83 169.29 13.39 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 108.012 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.407 ' HG ' HD21 ' A' ' 31' ' ' LEU . 11.1 mt -112.55 141.9 45.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.502 1.126 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 3.6 tp-100 -107.75 131.08 54.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.127 . . . . 0.0 110.274 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.16 148.22 39.01 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.481 1.113 . . . . 0.0 110.023 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 167.87 26.09 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.505 1.792 . . . . 0.0 110.997 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.5 t -39.79 159.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.55 1.156 . . . . 0.0 110.383 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 50.61 39.81 38.79 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.464 1.102 . . . . 0.0 110.997 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -130.04 -179.81 16.29 Favored Glycine 0 CA--C 1.53 1.003 0 N-CA-C 110.994 -0.843 . . . . 0.0 110.994 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.32 14.71 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.5 1.789 . . . . 0.0 110.983 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 173.53 14.35 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.511 1.795 . . . . 0.0 111.024 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 107.43 2.48 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.503 1.791 . . . . 0.0 110.991 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 mp -80.41 134.54 27.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.482 1.114 . . . . 0.0 109.317 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 51.9 m-85 -96.25 104.22 16.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 110.99 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.839 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 2.4 mt -53.36 153.88 6.68 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.49 1.119 . . . . 0.0 109.328 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 123.77 8.14 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.475 1.776 . . . . 0.0 110.978 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.408 ' C ' ' N ' ' A' ' 35' ' ' GLY . 90.3 p -79.59 -31.22 41.75 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.133 . . . . 0.0 109.974 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -45.69 -26.29 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 109.293 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.408 ' N ' ' C ' ' A' ' 33' ' ' SER . . . 115.41 -5.7 21.24 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.512 1.133 . . . . 0.0 110.963 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 16.2 mt-30 -53.39 175.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 0.771 . . . . 0.0 110.257 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.79 ' HB1' ' HG2' ' A' ' 59' ' ' GLU . . . -119.2 120.56 37.41 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.557 1.16 . . . . 0.0 109.264 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 10.0 tp -93.99 101.64 13.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.635 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.7 t -72.62 126.92 34.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.279 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.538 HD12 HD13 ' A' ' 60' ' ' LEU . 16.3 mt -107.88 155.22 20.51 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.459 ' HA2' ' CD2' ' A' ' 102' ' ' LEU . . . 162.43 -153.6 24.29 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.2 mtp180 -64.01 139.51 58.77 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.495 0.762 . . . . 0.0 110.332 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.84 -172.33 22.64 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.459 1.099 . . . . 0.0 110.978 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 -9.67 20.9 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.523 1.801 . . . . 0.0 110.993 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mp -52.63 -60.89 2.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.43 1.081 . . . . 0.0 109.314 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 61.2 p -114.9 7.42 15.66 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.5 1.125 . . . . 0.0 110.434 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 65.6 20.27 11.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.524 1.14 . . . . 0.0 110.302 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.402 HG11 ' SG ' ' A' ' 53' ' ' CYS . 16.0 t -83.52 129.86 36.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.262 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 41.5 p -129.86 28.62 5.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 110.419 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -92.6 125.28 37.16 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.307 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -54.05 -29.51 44.26 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.554 1.159 . . . . 0.0 110.268 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.403 ' O ' ' OD1' ' A' ' 77' ' ' ASN . 29.9 mmtt -62.34 -22.13 65.84 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.495 1.122 . . . . 0.0 109.261 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.559 ' SG ' HD22 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -90.82 140.05 30.17 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 108.274 -179.943 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.404 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -112.9 138.21 50.11 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.43 1.081 . . . . 0.0 110.007 179.958 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.404 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.1 OUTLIER -38.39 -35.97 0.21 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 110.309 179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.635 ' HA ' HG13 ' A' ' 39' ' ' VAL . 2.5 p30 -124.29 59.23 1.17 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.342 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 36.4 tp60 -63.61 -47.05 83.0 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.45 1.094 . . . . 0.0 110.344 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.474 HG12 ' HA ' ' A' ' 73' ' ' GLN . 0.7 OUTLIER -146.16 167.74 7.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.472 1.107 . . . . 0.0 109.271 -179.981 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 1.006 ' HB2' HD11 ' A' ' 74' ' ' LEU . 6.5 tt0 -121.27 109.31 14.79 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.521 1.138 . . . . 0.0 110.305 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.809 HD11 HD21 ' A' ' 100' ' ' LEU . 2.6 mp -93.4 141.28 28.63 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.522 1.139 . . . . 0.0 109.27 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.544 HD11 ' HB2' ' A' ' 37' ' ' ALA . 21.2 mt -138.72 120.36 16.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.449 1.093 . . . . 0.0 109.289 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.839 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.8 118.4 17.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.483 1.114 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -115.94 88.06 20.45 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.535 1.147 . . . . 0.0 109.303 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.31 9.07 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.503 1.791 . . . . 0.0 111.028 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -64.31 -38.05 89.66 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.461 1.1 . . . . 0.0 110.254 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.5 m -144.05 29.4 1.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.14 . . . . 0.0 110.028 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 51.16 55.78 8.99 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.518 1.136 . . . . 0.0 110.269 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.8 p -134.89 175.25 9.74 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.526 1.141 . . . . 0.0 110.387 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.416 HG13 ' O ' ' A' ' 61' ' ' ILE . 98.9 t -148.21 132.27 9.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.453 1.096 . . . . 0.0 109.25 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -93.59 140.61 29.42 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 1.111 . . . . 0.0 109.3 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.545 HG21 HD13 ' A' ' 94' ' ' LEU . 94.4 t -128.04 130.97 69.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.417 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 4.9 ttpt -133.61 124.14 26.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.474 ' HA ' HG12 ' A' ' 58' ' ' VAL . 33.5 tt0 -79.12 120.13 23.23 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 110.297 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.006 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -117.8 2.21 12.2 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 109.305 179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -97.36 -148.17 23.61 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.501 1.126 . . . . 0.0 110.992 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -118.73 -45.63 3.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.46 0.741 . . . . 0.0 109.296 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.403 ' OD1' ' O ' ' A' ' 52' ' ' LYS . 2.2 m120 -62.2 138.28 96.02 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.504 1.127 . . . . 0.0 109.257 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.95 122.64 7.36 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.537 1.809 . . . . 0.0 111.025 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -93.34 159.32 15.31 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.537 1.148 . . . . 0.0 109.971 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 93.0 m -120.65 123.15 42.07 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.135 . . . . 0.0 110.414 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.705 ' O ' HG12 ' A' ' 81' ' ' VAL . 4.0 t -103.26 78.01 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.441 1.088 . . . . 0.0 109.295 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 100.54 -93.6 1.21 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.457 1.098 . . . . 0.0 111.015 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.405 ' O ' HG22 ' A' ' 83' ' ' VAL . 9.4 p -134.18 16.99 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.503 0.766 . . . . 0.0 109.373 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.402 ' HG3' ' N ' ' A' ' 85' ' ' GLU . 1.9 tt0 -125.4 136.72 53.71 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 110.298 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.402 ' N ' ' HG3' ' A' ' 84' ' ' GLN . 1.0 OUTLIER -82.18 142.85 31.84 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.498 1.124 . . . . 0.0 110.338 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.478 HD23 ' HA ' ' A' ' 86' ' ' LEU . 11.0 mt -101.33 -173.83 2.46 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 1.144 . . . . 0.0 109.313 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.51 ' HB2' HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -141.02 171.56 7.41 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.143 . . . . 0.0 109.302 -179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.417 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -75.08 114.01 3.92 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.494 1.787 . . . . 0.0 111.003 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.59 2.11 61.75 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.445 1.091 . . . . 0.0 110.968 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.51 HD22 ' HB2' ' A' ' 87' ' ' LYS . 5.1 tp -84.34 -178.86 7.04 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.494 0.761 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 0.3 OUTLIER -160.13 141.62 12.57 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 1.125 . . . . 0.0 110.058 179.979 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -140.63 -168.04 11.25 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 110.99 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 60.5 p -131.76 151.87 51.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 0.756 . . . . 0.0 109.993 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.545 HD13 HG21 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -126.17 130.18 50.49 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 109.328 179.976 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.4 m -94.57 165.41 12.54 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.445 1.091 . . . . 0.0 110.012 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.49 HD11 ' CB ' ' A' ' 113' ' ' TRP . 4.3 mt -60.9 108.17 0.82 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.477 1.11 . . . . 0.0 109.275 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 115.48 -28.03 8.08 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.481 1.113 . . . . 0.0 111.013 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 25.9 m-20 -56.93 154.48 9.41 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.498 0.764 . . . . 0.0 109.289 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . . . . . . . . . 55.8 t -105.34 160.2 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.809 HD21 HD11 ' A' ' 60' ' ' LEU . 29.7 tp -141.08 84.29 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.475 1.109 . . . . 0.0 109.283 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.44 ' O ' ' C ' ' A' ' 102' ' ' LEU . 95.2 m-85 -62.21 99.99 0.15 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.505 1.128 . . . . 0.0 111.02 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.811 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -36.74 -59.52 0.67 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 109.284 179.985 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.535 HG12 ' SG ' ' A' ' 53' ' ' CYS . 3.3 p -163.33 167.73 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.508 1.13 . . . . 0.0 109.334 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.535 ' N ' HG22 ' A' ' 103' ' ' VAL . 0.6 OUTLIER 50.72 30.42 4.97 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 109.324 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.403 ' O ' ' CD1' ' A' ' 101' ' ' TYR . . . 50.97 20.59 4.49 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.503 1.127 . . . . 0.0 110.993 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 66.9 mt -114.7 -171.91 2.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.455 0.738 . . . . 0.0 109.306 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.446 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 14.9 m-85 43.87 61.78 10.17 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.446 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.2 Cg_endo -75.01 139.53 24.35 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.532 1.806 . . . . 0.0 110.98 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.811 ' CD2' HD12 ' A' ' 102' ' ' LEU . 3.6 mm? -117.13 103.29 10.07 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.516 1.135 . . . . 0.0 109.304 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 61.3 m -76.72 125.5 29.38 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 110.406 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.478 HD11 HD22 ' A' ' 17' ' ' LEU . 18.8 tp -81.87 128.82 34.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.527 ' HB3' ' CZ2' ' A' ' 18' ' ' TRP . 23.8 mmt180 -133.5 155.61 49.27 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 110.351 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.49 ' CB ' HD11 ' A' ' 96' ' ' LEU . 0.0 OUTLIER -129.32 133.58 47.51 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 108.018 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.444 ' O ' ' NE1' ' A' ' 113' ' ' TRP . 24.9 t -74.12 140.48 45.28 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.004 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -162.02 103.24 0.22 Allowed Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.502 1.126 . . . . 0.0 110.979 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 160.16 40.45 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.493 1.786 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 54.0 p -107.45 170.2 8.12 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.468 1.105 . . . . 0.0 109.987 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 67.9 124.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.962 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.485 1.115 . . . . 0.0 110.982 179.945 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.026 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.3 m -129.47 117.84 21.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.523 0.778 . . . . 0.0 110.008 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 p -174.36 115.77 0.2 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.498 1.124 . . . . 0.0 109.991 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 100.23 -123.19 7.84 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.481 1.113 . . . . 0.0 110.993 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -112.26 -58.5 2.13 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.522 0.778 . . . . 0.0 109.968 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.65 118.66 0.44 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.45 1.094 . . . . 0.0 110.041 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.15 113.45 0.3 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.489 1.118 . . . . 0.0 110.944 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -103.79 96.12 6.48 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.479 0.752 . . . . 0.0 110.995 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -153.94 87.73 1.22 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 1.143 . . . . 0.0 110.028 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 5.4 pt20 -161.19 127.29 3.84 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.346 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 mt -110.86 148.27 32.79 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 137.54 60.53 0.05 OUTLIER Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.406 ' HB3' ' NH1' ' A' ' 16' ' ' ARG . 29.3 p -164.54 116.34 1.26 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.472 0.748 . . . . 0.0 109.958 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.3 mpt_? -117.99 20.7 13.18 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.558 ' HA3' ' CZ2' ' A' ' 113' ' ' TRP . . . 150.22 115.24 0.72 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.514 1.134 . . . . 0.0 111.004 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.406 ' NH1' ' HB3' ' A' ' 13' ' ' SER . 0.0 OUTLIER -97.86 141.3 31.02 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 0.747 . . . . 0.0 110.276 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.5 mt -83.11 155.28 23.92 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.521 1.138 . . . . 0.0 109.315 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 41.1 p-90 -167.05 171.32 11.15 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.127 . . . . 0.0 108.016 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.416 HD11 HD22 ' A' ' 60' ' ' LEU . 23.3 mt -110.14 144.78 38.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.553 1.158 . . . . 0.0 109.267 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 47.1 tt0 -114.47 111.24 21.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.482 1.114 . . . . 0.0 110.342 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -85.77 148.42 48.54 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.557 1.16 . . . . 0.0 109.986 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 169.15 23.26 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.466 1.772 . . . . 0.0 111.005 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 32.6 m -39.23 151.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.115 . . . . 0.0 110.35 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 51.66 54.55 24.27 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.521 1.138 . . . . 0.0 110.978 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -141.58 -174.04 14.21 Favored Glycine 0 CA--C 1.53 1.029 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 173.54 14.31 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.534 1.808 . . . . 0.0 111.045 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 173.79 13.91 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.46 1.768 . . . . 0.0 110.998 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 105.01 2.0 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.52 1.8 . . . . 0.0 111.007 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.4 mp -78.85 129.35 37.68 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 109.326 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 18.3 m-85 -98.74 115.38 28.61 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.5 1.125 . . . . 0.0 110.978 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.92 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 0.3 OUTLIER -68.57 164.7 42.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.539 1.15 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.752 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.2 Cg_endo -74.95 173.69 14.05 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.506 1.792 . . . . 0.0 111.021 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 36.1 p -120.84 -38.22 2.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 110.023 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.5 t0 -48.17 -30.65 4.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.521 1.138 . . . . 0.0 109.243 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.22 -1.57 7.15 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.536 1.148 . . . . 0.0 110.998 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -49.48 172.98 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 0.768 . . . . 0.0 110.351 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.775 ' HB1' ' HG3' ' A' ' 59' ' ' GLU . . . -124.62 118.93 27.61 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.487 1.117 . . . . 0.0 109.312 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 38' ' ' LEU . 8.7 tp -90.99 109.21 20.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.45 1.093 . . . . 0.0 109.277 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.605 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.8 t -80.41 133.29 29.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.523 1.14 . . . . 0.0 109.271 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 13.3 mt -116.54 156.78 26.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.475 1.11 . . . . 0.0 109.249 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 162.37 -160.85 33.08 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.458 1.099 . . . . 0.0 111.004 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 3.9 mtp180 -53.51 144.1 17.97 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.54 0.788 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 127.2 -171.37 18.76 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.488 1.118 . . . . 0.0 110.999 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -3.25 13.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.486 1.782 . . . . 0.0 110.973 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -58.99 -61.37 2.69 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.294 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.542 HG21 HD11 ' A' ' 102' ' ' LEU . 63.3 p -115.39 7.68 15.13 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.134 . . . . 0.0 110.429 179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.1 mm-40 64.82 20.19 12.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.629 HG11 ' SG ' ' A' ' 53' ' ' CYS . 8.8 t -83.05 133.81 28.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.448 1.092 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 71.1 p -116.82 -12.1 10.83 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.481 1.113 . . . . 0.0 110.447 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 27.0 t0 -53.41 128.02 27.08 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.344 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 79.9 mtt180 -59.28 -47.65 84.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.526 1.141 . . . . 0.0 110.325 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 3.2 mptt -46.64 -27.61 1.21 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.312 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.629 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -79.54 113.87 18.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.528 1.143 . . . . 0.0 108.307 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -93.24 139.09 31.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 3.3 mtt-85 -38.48 -34.14 0.13 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.34 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.605 ' HA ' HG13 ' A' ' 39' ' ' VAL . 2.9 m120 -124.39 58.95 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.437 1.085 . . . . 0.0 109.271 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.655 ' HG3' HG13 ' A' ' 58' ' ' VAL . 38.0 tp60 -65.79 -48.34 72.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.451 1.094 . . . . 0.0 110.285 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.655 HG13 ' HG3' ' A' ' 57' ' ' GLN . 6.1 m -138.32 170.63 16.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.542 1.151 . . . . 0.0 109.305 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.775 ' HG3' ' HB1' ' A' ' 37' ' ' ALA . 16.3 tt0 -128.82 108.09 10.17 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.333 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.644 HD21 HD23 ' A' ' 100' ' ' LEU . 3.3 mp -92.75 139.86 30.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.337 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.563 ' O ' HG13 ' A' ' 69' ' ' VAL . 24.2 mt -134.29 125.88 48.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.484 1.115 . . . . 0.0 109.317 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.92 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -75.62 125.79 29.73 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.539 1.149 . . . . 0.0 109.313 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -123.63 86.57 52.69 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -3.33 13.77 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.57 1.826 . . . . 0.0 111.033 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -64.88 -50.89 64.77 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.506 1.129 . . . . 0.0 110.312 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.666 ' O ' HG23 ' A' ' 68' ' ' THR . 0.6 OUTLIER -129.55 36.9 4.05 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 179.953 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.529 ' NH1' ' CZ2' ' A' ' 113' ' ' TRP . 0.0 OUTLIER 41.69 54.94 3.71 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.269 179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.666 HG23 ' O ' ' A' ' 66' ' ' SER . 1.9 p -133.0 177.45 7.65 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.479 1.112 . . . . 0.0 110.415 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 61' ' ' ILE . 95.0 t -150.11 125.91 1.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 109.303 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -86.02 145.34 27.13 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.463 1.102 . . . . 0.0 109.29 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.575 HG21 HD13 ' A' ' 94' ' ' LEU . 90.5 t -130.71 138.89 52.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.483 1.114 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.42 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 2.1 ttpt -139.99 120.42 14.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.514 1.134 . . . . 0.0 109.306 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.434 ' HA ' HG12 ' A' ' 58' ' ' VAL . 36.9 tt0 -78.28 113.71 16.5 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.518 1.136 . . . . 0.0 110.284 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.772 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -107.93 3.24 23.99 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.269 -179.986 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -96.1 -147.4 22.58 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.2 p -120.29 -47.88 3.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.514 0.773 . . . . 0.0 109.267 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -62.69 139.84 97.02 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 109.295 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 124.74 8.84 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.465 1.771 . . . . 0.0 110.971 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.401 ' O ' ' N ' ' A' ' 86' ' ' LEU . 9.9 m -93.17 159.07 15.45 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.522 1.139 . . . . 0.0 109.992 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.9 m -117.1 122.71 44.89 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.43 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.796 HG13 HD12 ' A' ' 94' ' ' LEU . 39.3 t -103.15 89.01 1.39 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.53 -92.79 1.75 Allowed Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.498 1.123 . . . . 0.0 110.967 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.401 ' O ' HG22 ' A' ' 83' ' ' VAL . 8.6 p -131.47 19.9 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.53 0.782 . . . . 0.0 109.315 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 24.1 tt0 -125.1 146.27 49.54 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 110.274 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.22 139.21 31.87 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.122 . . . . 0.0 110.325 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.401 ' N ' ' O ' ' A' ' 79' ' ' SER . 10.7 mt -102.65 -172.91 2.21 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.247 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 13.3 mtpt -143.67 170.55 8.3 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.515 1.134 . . . . 0.0 109.283 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.424 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -75.01 96.23 1.01 Allowed 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.503 1.791 . . . . 0.0 111.012 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 116.77 -0.63 19.94 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.524 1.14 . . . . 0.0 110.993 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.3 tp -85.23 -178.23 6.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.753 . . . . 0.0 109.286 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 0.6 OUTLIER -159.46 143.52 14.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.465 1.103 . . . . 0.0 110.001 180.0 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -143.63 -167.93 11.97 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.46 1.1 . . . . 0.0 111.01 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -131.34 153.92 49.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.511 0.771 . . . . 0.0 110.002 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.796 HD12 HG13 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -124.37 129.3 50.45 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 179.985 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.1 m -96.33 148.59 22.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 110.028 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.74 HD11 ' HB2' ' A' ' 113' ' ' TRP . 5.9 mt -43.86 110.46 0.21 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.409 1.068 . . . . 0.0 109.301 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 112.29 -39.74 2.77 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.518 1.136 . . . . 0.0 110.989 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -46.2 148.61 0.85 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.44 0.73 . . . . 0.0 109.255 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.417 ' CG1' ' HB3' ' A' ' 108' ' ' PRO . 55.5 t -97.32 160.69 2.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 O-C-N 124.526 1.141 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.648 HD13 HG22 ' A' ' 81' ' ' VAL . 52.4 tp -142.97 84.83 1.85 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 109.322 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.439 ' O ' ' C ' ' A' ' 102' ' ' LEU . 95.3 m-85 -62.53 99.25 0.14 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.104 . . . . 0.0 111.011 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.551 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -37.15 -59.89 0.69 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.467 1.104 . . . . 0.0 109.287 -179.974 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.681 HG22 ' H ' ' A' ' 104' ' ' ASN . 5.2 p -161.24 178.19 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.681 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.8 OUTLIER 42.44 32.3 0.34 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.551 1.157 . . . . 0.0 109.328 -179.955 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 49.84 20.59 3.06 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.507 1.129 . . . . 0.0 110.993 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 41.5 mt -119.7 -170.97 2.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.465 0.744 . . . . 0.0 109.3 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.475 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 2.7 m-85 48.62 60.3 15.75 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.475 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.4 Cg_endo -75.02 130.61 13.41 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.467 1.772 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.551 ' CD2' HD12 ' A' ' 102' ' ' LEU . 4.0 mm? -108.6 98.29 7.83 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.11 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 97.6 m -69.86 125.31 26.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.561 1.163 . . . . 0.0 110.388 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.554 HD21 HG23 ' A' ' 69' ' ' VAL . 38.0 tp -82.62 126.01 31.83 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.52 1.137 . . . . 0.0 109.282 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 18.9 mmt180 -124.65 162.73 23.51 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.74 ' HB2' HD11 ' A' ' 96' ' ' LEU . 7.6 t-105 -123.14 138.79 54.57 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.53 1.144 . . . . 0.0 108.009 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.57 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 0.9 OUTLIER -89.6 152.77 21.22 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.524 1.14 . . . . 0.0 110.004 -179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 140.95 -150.19 21.57 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.501 1.126 . . . . 0.0 111.023 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 151.44 39.29 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.547 1.814 . . . . 0.0 110.981 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 11.1 t -173.1 100.27 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.953 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 36.9 p -97.94 102.78 14.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.521 1.138 . . . . 0.0 110.033 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 O-C-N 124.425 1.078 . . . . 0.0 110.997 179.997 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 N-CA-C 110.973 -0.851 . . . . 0.0 110.973 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.9 t -122.91 -58.59 1.65 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 0.756 . . . . 0.0 109.994 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.1 m 62.66 78.85 0.28 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.454 1.096 . . . . 0.0 109.965 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.94 94.92 0.17 Allowed Glycine 0 CA--C 1.529 0.964 0 O-C-N 124.524 1.14 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.9 m -120.74 146.1 46.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.477 0.751 . . . . 0.0 110.006 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.1 m 61.9 138.44 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.578 1.174 . . . . 0.0 110.022 -179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.79 60.54 0.21 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.511 1.132 . . . . 0.0 110.994 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.97 150.33 16.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.528 0.781 . . . . 0.0 110.947 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 84.8 p -43.96 107.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.082 . . . . 0.0 109.986 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.4 tp60 -171.02 93.61 0.17 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.119 . . . . 0.0 110.334 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 4.8 mp -81.24 75.62 8.21 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.261 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 66.88 117.6 0.02 OUTLIER Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.517 1.136 . . . . 0.0 111.013 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.5 p -65.27 135.88 55.92 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.529 0.782 . . . . 0.0 110.008 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 4.0 mpt_? -63.52 166.23 6.95 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.126 . . . . 0.0 110.261 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -42.93 132.33 5.19 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.433 ' HD2' ' CD2' ' A' ' 30' ' ' PHE . 3.8 ptt180 -126.39 149.4 49.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 0.766 . . . . 0.0 110.311 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.525 HD22 HD11 ' A' ' 111' ' ' LEU . 1.1 mt -80.31 156.94 26.55 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.445 ' CE3' ' HB2' ' A' ' 28' ' ' PRO . 50.1 p-90 -166.92 157.01 11.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 108.032 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.914 ' CD2' HD21 ' A' ' 31' ' ' LEU . 0.7 OUTLIER -96.04 143.34 27.28 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.522 1.139 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 15.4 tt0 -107.12 101.06 10.49 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.48 1.113 . . . . 0.0 110.297 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -85.35 148.18 49.07 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.997 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 152.98 41.56 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.489 1.784 . . . . 0.0 110.969 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.7 t -39.98 150.15 0.06 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.13 . . . . 0.0 110.461 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 88.85 -38.91 3.16 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.51 1.131 . . . . 0.0 110.939 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -74.04 -169.48 20.05 Favored Glycine 0 CA--C 1.53 1.025 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 172.74 15.78 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.534 1.807 . . . . 0.0 111.006 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 173.46 14.48 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.504 1.792 . . . . 0.0 111.011 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . 0.445 ' HB2' ' CE3' ' A' ' 18' ' ' TRP . 18.3 Cg_endo -74.94 105.37 2.07 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.463 1.77 . . . . 0.0 111.013 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 mp -78.63 141.3 15.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.312 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.433 ' CD2' ' HD2' ' A' ' 16' ' ' ARG . 52.7 m-85 -104.29 114.21 28.29 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.471 1.107 . . . . 0.0 111.022 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.914 HD21 ' CD2' ' A' ' 19' ' ' LEU . 2.0 mt -64.53 160.44 52.08 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.496 1.122 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.441 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.3 Cg_endo -75.02 124.48 8.64 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.493 1.786 . . . . 0.0 111.005 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 43.3 m -78.43 -22.94 46.92 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.555 1.16 . . . . 0.0 110.009 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -54.01 -34.02 58.77 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.499 1.124 . . . . 0.0 109.315 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 129.12 -11.08 6.19 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.513 1.133 . . . . 0.0 110.958 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 2.2 mp0 -48.57 168.85 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.478 0.752 . . . . 0.0 110.318 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.813 ' HB1' ' HG3' ' A' ' 59' ' ' GLU . . . -117.1 122.36 43.91 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 109.323 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 8.3 tp -92.28 99.64 12.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.492 1.12 . . . . 0.0 109.264 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.63 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.5 t -70.61 116.97 12.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.505 HD23 HD11 ' A' ' 102' ' ' LEU . 1.0 OUTLIER -93.45 173.34 7.75 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.507 1.129 . . . . 0.0 109.31 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 140.14 -162.59 26.4 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.505 1.128 . . . . 0.0 111.019 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -53.95 143.25 22.16 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.446 0.733 . . . . 0.0 110.289 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.51 -179.1 18.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.499 1.125 . . . . 0.0 111.019 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -0.14 9.59 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.494 1.786 . . . . 0.0 111.009 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mp -59.96 -60.36 3.96 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.104 . . . . 0.0 109.312 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.71 ' OG1' HG23 ' A' ' 48' ' ' VAL . 43.5 p -114.62 8.33 16.27 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.511 1.132 . . . . 0.0 110.435 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 66.99 15.97 10.26 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.341 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.71 HG23 ' OG1' ' A' ' 46' ' ' THR . 57.4 t -74.66 126.42 35.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 109.267 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 40.7 p -127.56 33.27 4.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.502 1.126 . . . . 0.0 110.379 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 18.0 t0 -97.26 132.12 43.31 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 109.278 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -62.99 -31.18 72.25 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.495 1.122 . . . . 0.0 110.275 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 13.3 mttp -62.91 -15.93 57.13 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.453 1.096 . . . . 0.0 109.321 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.451 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -90.85 136.71 32.89 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.546 1.154 . . . . 0.0 108.286 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.422 ' O ' ' N ' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -108.38 134.56 51.01 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.465 1.103 . . . . 0.0 109.986 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.58 -31.64 0.06 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.533 1.145 . . . . 0.0 110.247 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.63 ' HA ' HG13 ' A' ' 39' ' ' VAL . 1.1 p30 -126.21 56.43 1.44 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 109.3 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.522 ' HG3' HG13 ' A' ' 58' ' ' VAL . 36.3 tp60 -61.79 -46.09 91.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 1.105 . . . . 0.0 110.337 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.522 HG13 ' HG3' ' A' ' 57' ' ' GLN . 10.3 m -145.6 157.52 12.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.516 1.135 . . . . 0.0 109.338 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.855 ' HB2' HD11 ' A' ' 74' ' ' LEU . 27.0 tt0 -113.55 99.62 7.89 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.732 HD21 HD23 ' A' ' 100' ' ' LEU . 3.1 mp -80.72 141.61 34.68 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.506 1.129 . . . . 0.0 109.305 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.557 HG22 ' OD1' ' A' ' 63' ' ' ASP . 90.6 mt -139.93 116.21 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.524 1.14 . . . . 0.0 109.3 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.897 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.55 120.93 20.79 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.13 . . . . 0.0 109.298 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.557 ' OD1' HG22 ' A' ' 61' ' ' ILE . 0.7 OUTLIER -121.99 84.42 44.89 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.568 1.168 . . . . 0.0 109.305 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 0.57 8.74 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.49 1.784 . . . . 0.0 111.021 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -64.89 -42.78 94.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.113 . . . . 0.0 110.314 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -133.25 16.62 4.1 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.492 1.12 . . . . 0.0 109.97 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.571 ' CD ' ' CZ3' ' A' ' 113' ' ' TRP . 7.5 mmt-85 60.21 69.22 0.71 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 6.6 p -148.99 174.8 11.89 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.429 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.438 ' CG2' HD22 ' A' ' 111' ' ' LEU . 93.5 t -146.95 125.88 4.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.44 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . . . -87.99 146.03 25.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.61 HG21 HD13 ' A' ' 94' ' ' LEU . 87.0 t -137.41 111.94 9.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.319 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.7 ttmm -112.65 120.75 42.64 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.493 1.121 . . . . 0.0 109.313 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.42 ' HG2' ' HA ' ' A' ' 88' ' ' PRO . 31.6 tt0 -72.49 117.17 13.83 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.457 1.098 . . . . 0.0 110.309 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.855 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -119.51 8.06 11.25 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.498 1.123 . . . . 0.0 109.29 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -101.0 -146.16 18.48 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.514 1.134 . . . . 0.0 110.977 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -120.26 -51.34 3.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.449 0.735 . . . . 0.0 109.29 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 48.3 m-80 -63.52 141.38 97.87 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.454 1.096 . . . . 0.0 109.306 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 126.83 10.23 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.468 1.773 . . . . 0.0 110.967 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.0 m -97.61 159.25 15.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.0 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 96.1 m -119.04 108.23 14.48 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.492 1.12 . . . . 0.0 110.402 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.851 HG13 HD12 ' A' ' 94' ' ' LEU . 8.1 t -87.38 73.41 0.98 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.517 1.136 . . . . 0.0 109.361 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 105.05 -95.84 1.15 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.541 1.15 . . . . 0.0 110.993 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.1 p -132.43 16.62 1.62 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.435 0.727 . . . . 0.0 109.334 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.0 tt0 -125.16 129.17 49.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.318 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -75.66 140.43 42.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.122 . . . . 0.0 110.306 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.461 HD23 ' HA ' ' A' ' 86' ' ' LEU . 11.7 mt -101.6 -173.67 2.41 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.121 . . . . 0.0 109.332 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.47 174.33 3.7 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.42 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -74.96 108.47 2.72 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.514 1.797 . . . . 0.0 111.03 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 100.4 1.14 55.62 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.545 1.153 . . . . 0.0 111.021 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.445 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.1 tp -88.67 -176.85 5.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 0.78 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.434 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 28.7 t -156.26 171.36 20.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.482 1.114 . . . . 0.0 110.018 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -160.63 -167.76 21.59 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.449 1.093 . . . . 0.0 111.0 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 92.2 p -138.62 129.98 27.28 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.469 0.747 . . . . 0.0 110.002 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.851 HD12 HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -104.19 129.06 51.95 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.503 1.127 . . . . 0.0 109.313 179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 60.4 m -98.42 165.36 11.88 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.981 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.451 HD21 ' N ' ' A' ' 113' ' ' TRP . 4.6 mt -59.17 105.15 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.318 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 116.16 -28.12 7.78 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.529 1.143 . . . . 0.0 110.953 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -57.52 148.37 24.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.464 0.744 . . . . 0.0 109.331 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.518 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 60.0 t -99.06 160.87 3.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 109.308 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.732 HD23 HD21 ' A' ' 60' ' ' LEU . 18.2 tp -140.62 84.38 1.94 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.42 ' O ' ' C ' ' A' ' 102' ' ' LEU . 95.0 m-85 -60.43 99.83 0.09 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.505 HD11 HD23 ' A' ' 40' ' ' LEU . 0.1 OUTLIER -37.58 -58.27 0.89 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.499 1.124 . . . . 0.0 109.272 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.571 HG22 ' H ' ' A' ' 104' ' ' ASN . 9.1 p -163.2 172.88 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.295 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.571 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.4 OUTLIER 43.2 36.41 1.0 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.275 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 46.84 22.89 1.28 Allowed Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.475 1.109 . . . . 0.0 111.025 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 30.0 mt -118.49 -171.41 2.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 0.776 . . . . 0.0 109.284 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.46 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 3.6 m-85 43.0 60.77 10.22 Favored Pre-proline 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.518 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.02 138.85 23.53 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.509 1.794 . . . . 0.0 110.954 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.51 HD22 ' C ' ' A' ' 108' ' ' PRO . 4.0 mm? -117.39 101.96 8.84 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.32 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 19' ' ' LEU . 32.0 m -74.81 130.62 39.77 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.488 1.117 . . . . 0.0 110.366 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.525 HD11 HD22 ' A' ' 17' ' ' LEU . 16.2 tp -83.19 134.94 34.95 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.483 1.114 . . . . 0.0 109.318 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.464 ' H ' HD12 ' A' ' 111' ' ' LEU . 23.4 mmt180 -139.53 151.79 46.4 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.56 1.163 . . . . 0.0 110.284 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.571 ' CZ3' ' CD ' ' A' ' 67' ' ' ARG . 8.1 t-105 -110.57 141.87 43.17 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 107.991 -1.115 . . . . 0.0 107.991 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.4 t -95.16 143.95 26.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 110.022 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 153.14 -174.05 31.92 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.47 1.106 . . . . 0.0 110.993 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 80.46 2.41 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.482 1.78 . . . . 0.0 111.035 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 61.8 m -102.8 -54.65 2.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 110.007 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 13.6 t 57.77 97.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.033 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.504 1.127 . . . . 0.0 111.024 -179.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -157.02 128.51 6.99 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.505 0.768 . . . . 0.0 110.024 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.6 t 63.61 144.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.446 1.091 . . . . 0.0 109.992 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -72.68 -119.25 0.06 OUTLIER Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.446 1.091 . . . . 0.0 110.965 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.2 t -161.48 -58.48 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.468 0.746 . . . . 0.0 110.029 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.7 p -147.5 158.04 43.82 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.494 1.121 . . . . 0.0 110.04 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.49 73.29 1.28 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.563 1.165 . . . . 0.0 111.0 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.0 141.17 30.0 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.488 0.758 . . . . 0.0 111.028 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 89.1 p -176.18 139.3 0.36 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.454 1.097 . . . . 0.0 109.988 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -125.5 99.28 5.95 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.544 1.153 . . . . 0.0 110.295 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -79.96 -64.31 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.142 . . . . 0.0 109.264 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -165.3 -144.66 4.14 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.518 1.136 . . . . 0.0 111.02 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 16.6 t -102.1 -39.14 7.41 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 0.756 . . . . 0.0 109.986 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER 50.83 178.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.282 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.571 ' HA3' ' CZ2' ' A' ' 113' ' ' TRP . . . -76.29 169.79 54.86 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.474 1.109 . . . . 0.0 110.994 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -142.0 129.37 21.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 0.766 . . . . 0.0 110.335 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.66 HD22 HD11 ' A' ' 111' ' ' LEU . 3.2 mt -80.36 147.73 30.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.314 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.433 ' CB ' ' O ' ' A' ' 29' ' ' ILE . 53.2 p-90 -166.39 157.04 12.54 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 107.96 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.801 ' CD2' HD21 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -94.0 144.88 25.07 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.3 tt0 -108.39 93.08 4.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.483 1.115 . . . . 0.0 110.268 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -68.49 148.35 98.13 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.503 1.127 . . . . 0.0 109.99 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 159.63 41.04 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.559 1.821 . . . . 0.0 111.028 179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 1.9 m -40.23 153.64 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.403 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 61.3 54.23 38.01 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.439 1.087 . . . . 0.0 110.992 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -155.51 -172.48 23.14 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 173.63 14.18 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.468 1.772 . . . . 0.0 110.976 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 173.69 14.07 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.499 1.789 . . . . 0.0 110.979 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 118.35 5.22 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.548 1.815 . . . . 0.0 110.967 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.51 HD11 ' O ' ' A' ' 45' ' ' LEU . 2.7 mp -86.08 140.38 15.97 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 40.2 m-85 -104.3 107.22 18.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 110.99 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.889 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 0.5 OUTLIER -63.61 164.0 17.93 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.532 1.145 . . . . 0.0 109.274 -179.984 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.882 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.1 Cg_endo -75.04 152.49 40.63 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.515 1.798 . . . . 0.0 110.976 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.4 m -102.16 -27.3 12.98 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.529 1.143 . . . . 0.0 110.009 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.3 t0 -50.09 -36.85 31.09 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.62 -6.82 5.88 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.438 1.086 . . . . 0.0 111.034 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.0 mt-30 -51.21 -179.87 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.53 0.782 . . . . 0.0 110.3 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.638 ' HB1' ' CG ' ' A' ' 59' ' ' GLU . . . -130.0 123.31 30.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.479 1.112 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.418 ' HA ' HD12 ' A' ' 38' ' ' LEU . 6.9 tp -92.88 106.79 18.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.714 HG13 ' HA ' ' A' ' 56' ' ' ASN . 2.0 t -70.88 121.38 20.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.324 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.585 HD23 HD11 ' A' ' 102' ' ' LEU . 1.0 OUTLIER -96.08 173.56 7.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 138.96 -165.21 25.69 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.501 1.125 . . . . 0.0 110.975 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -46.75 148.59 1.0 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.536 0.786 . . . . 0.0 110.296 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.84 178.39 15.46 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.453 1.096 . . . . 0.0 110.96 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 -8.48 20.12 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.532 1.806 . . . . 0.0 111.014 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.51 ' O ' HD11 ' A' ' 29' ' ' ILE . 6.2 mp -57.68 -59.95 4.41 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.453 1.095 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.648 HG21 HD11 ' A' ' 102' ' ' LEU . 63.2 p -106.89 -2.65 21.1 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.48 1.113 . . . . 0.0 110.366 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.0 mm-40 65.9 29.08 10.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.517 1.135 . . . . 0.0 110.27 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.661 HG11 ' SG ' ' A' ' 53' ' ' CYS . 11.7 t -90.93 133.35 32.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 109.295 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.417 ' O ' ' C ' ' A' ' 50' ' ' ASP . 39.4 p -119.17 -33.25 4.19 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.515 1.134 . . . . 0.0 110.426 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.417 ' C ' ' O ' ' A' ' 49' ' ' THR . 49.2 t0 -39.04 123.62 1.35 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.522 1.139 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 8.0 ptp180 -58.02 -22.49 50.02 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.455 1.097 . . . . 0.0 110.3 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.402 ' O ' ' CG ' ' A' ' 77' ' ' ASN . 57.1 mmtt -60.78 -15.28 28.06 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.661 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -96.71 140.99 30.48 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 108.31 179.989 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -116.18 138.56 51.17 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.468 1.105 . . . . 0.0 109.989 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -38.94 -40.64 0.67 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 1.123 . . . . 0.0 110.266 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.714 ' HA ' HG13 ' A' ' 39' ' ' VAL . 4.1 m-20 -117.77 58.06 0.81 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.494 1.121 . . . . 0.0 109.291 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.56 ' HG3' HG13 ' A' ' 58' ' ' VAL . 45.9 tp60 -63.12 -51.22 67.38 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 1.119 . . . . 0.0 110.338 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.56 HG13 ' HG3' ' A' ' 57' ' ' GLN . 4.6 m -141.96 163.89 19.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.94 ' HB2' HD11 ' A' ' 74' ' ' LEU . 3.5 tt0 -115.39 107.13 14.81 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 110.315 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.53 HD21 HD23 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -90.37 144.01 26.22 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.466 1.104 . . . . 0.0 109.349 179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.723 ' O ' HG13 ' A' ' 69' ' ' VAL . 69.5 mt -140.79 121.21 13.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.462 1.101 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.889 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -78.85 118.87 21.3 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.478 1.111 . . . . 0.0 109.272 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -118.78 86.43 30.22 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 0.31 9.06 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.491 1.785 . . . . 0.0 111.009 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -61.38 -47.63 84.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.311 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.423 ' O ' HG23 ' A' ' 68' ' ' THR . 0.4 OUTLIER -137.72 31.84 2.51 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.567 1.167 . . . . 0.0 109.951 -179.998 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.608 ' CD ' ' CE3' ' A' ' 113' ' ' TRP . 6.5 mmt-85 50.71 67.41 0.94 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 1.149 . . . . 0.0 110.269 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.48 ' C ' HG23 ' A' ' 69' ' ' VAL . 6.8 p -146.16 177.26 9.12 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.45 1.094 . . . . 0.0 110.437 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.723 HG13 ' O ' ' A' ' 61' ' ' ILE . 99.6 t -155.64 141.67 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.479 1.112 . . . . 0.0 109.268 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -103.2 144.84 30.79 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.306 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.428 HG11 HD11 ' A' ' 100' ' ' LEU . 86.0 t -132.95 114.5 21.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.515 1.134 . . . . 0.0 109.266 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 19.5 ttmt -116.61 119.09 34.43 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -74.97 112.29 11.05 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.464 1.102 . . . . 0.0 110.297 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.94 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -110.15 -5.28 15.39 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.241 -179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -89.12 -140.95 7.89 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.547 1.155 . . . . 0.0 111.003 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -124.25 -53.08 2.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.489 0.758 . . . . 0.0 109.278 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.473 ' HB3' HG23 ' A' ' 103' ' ' VAL . 3.1 m120 -53.86 137.26 55.26 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.131 . . . . 0.0 109.306 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 124.67 8.81 Favored 'Trans proline' 0 C--N 1.36 1.183 0 O-C-N 124.492 1.785 . . . . 0.0 110.968 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.8 m -95.01 159.2 15.13 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.43 1.081 . . . . 0.0 110.042 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.2 m -122.43 108.51 13.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.483 1.115 . . . . 0.0 110.417 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.661 HG13 HD12 ' A' ' 94' ' ' LEU . 24.6 t -89.47 83.57 2.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 96.3 -98.65 2.22 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.489 1.118 . . . . 0.0 111.02 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.8 p -131.37 17.08 1.86 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.516 0.774 . . . . 0.0 109.223 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 1.7 tt0 -125.15 132.33 53.09 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.501 1.126 . . . . 0.0 110.338 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 34.2 tt0 -75.88 145.08 40.8 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.277 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.472 HD23 ' HA ' ' A' ' 86' ' ' LEU . 12.0 mt -103.87 -172.52 2.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 109.295 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.522 ' HB2' HD22 ' A' ' 90' ' ' LEU . 10.5 mtpt -144.21 171.68 6.46 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 114.39 4.01 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.5 1.79 . . . . 0.0 110.937 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.84 2.12 61.34 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.535 1.147 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.522 HD22 ' HB2' ' A' ' 87' ' ' LYS . 5.2 tp -83.97 -179.77 7.34 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.492 0.76 . . . . 0.0 109.291 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.82 132.51 6.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 110.033 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -130.69 -169.4 12.46 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.538 1.148 . . . . 0.0 111.022 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 26.7 m -133.05 152.23 51.97 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.555 0.797 . . . . 0.0 109.977 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.661 HD12 HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -125.67 133.45 52.17 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.462 1.102 . . . . 0.0 109.346 -179.999 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 74.9 m -99.01 170.61 8.59 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.005 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.515 HD21 ' C ' ' A' ' 112' ' ' ARG . 4.0 mt -65.83 103.19 0.87 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.538 1.149 . . . . 0.0 109.318 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 119.53 -22.87 8.65 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.525 1.141 . . . . 0.0 111.013 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -61.36 156.84 18.03 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 0.751 . . . . 0.0 109.259 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.442 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 75.2 t -107.05 159.56 6.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.514 1.134 . . . . 0.0 109.297 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.602 HD13 HG22 ' A' ' 81' ' ' VAL . 37.7 tp -141.08 84.27 1.92 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.44 1.087 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.434 ' O ' ' C ' ' A' ' 102' ' ' LEU . 97.6 m-85 -60.15 99.77 0.08 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.717 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -37.85 -58.22 0.94 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 1.128 . . . . 0.0 109.3 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.559 HG22 ' H ' ' A' ' 104' ' ' ASN . 10.8 p -163.46 172.54 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.489 1.118 . . . . 0.0 109.31 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.559 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.4 OUTLIER 43.35 38.71 1.81 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.449 1.093 . . . . 0.0 109.304 179.976 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 43.96 24.55 0.53 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.513 1.133 . . . . 0.0 110.968 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.412 ' N ' ' C ' ' A' ' 104' ' ' ASN . 28.3 mt -119.62 -171.27 2.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.294 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.462 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 4.7 m-85 42.12 60.5 9.27 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.505 1.128 . . . . 0.0 110.983 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.462 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.5 Cg_endo -74.97 132.98 16.07 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.547 1.814 . . . . 0.0 111.019 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.717 ' CD2' HD12 ' A' ' 102' ' ' LEU . 3.8 mm? -112.03 103.72 11.94 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.487 1.117 . . . . 0.0 109.295 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.414 ' O ' ' HA ' ' A' ' 19' ' ' LEU . 4.9 m -78.26 128.69 34.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 110.428 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.66 HD11 HD22 ' A' ' 17' ' ' LEU . 27.5 tp -78.75 137.16 37.62 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.515 ' C ' HD21 ' A' ' 96' ' ' LEU . 22.7 mmt180 -135.27 175.53 9.5 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.502 1.127 . . . . 0.0 110.283 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.608 ' CE3' ' CD ' ' A' ' 67' ' ' ARG . 1.6 t-105 -148.04 128.07 13.65 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.517 1.135 . . . . 0.0 108.0 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.571 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 10.8 t -72.32 155.33 40.29 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.515 1.134 . . . . 0.0 109.991 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -163.44 167.44 37.66 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.476 1.11 . . . . 0.0 111.014 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 143.24 28.7 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.504 1.792 . . . . 0.0 110.95 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 7.2 m 72.26 -69.27 0.19 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.491 1.12 . . . . 0.0 110.031 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 74.57 84.66 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.454 1.097 . . . . 0.0 110.003 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.007 0 O-C-N 124.478 1.111 . . . . 0.0 111.001 179.993 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -152.54 -58.74 0.14 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 0.745 . . . . 0.0 109.978 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -93.81 159.39 15.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.114 . . . . 0.0 109.94 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.65 171.06 14.26 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.495 1.122 . . . . 0.0 111.016 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -103.43 161.03 14.2 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 0.744 . . . . 0.0 110.009 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 32.0 t -56.83 109.16 0.59 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.534 1.146 . . . . 0.0 110.051 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 147.85 -92.15 0.15 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.519 1.137 . . . . 0.0 110.951 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -39.88 119.59 1.02 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.526 0.78 . . . . 0.0 111.004 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 9.6 t -90.39 139.97 30.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.544 1.152 . . . . 0.0 109.975 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 12.2 tp60 -159.67 107.23 1.71 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.473 1.108 . . . . 0.0 110.292 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.7 mt 62.66 140.45 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.327 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -88.27 64.6 3.53 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.525 1.141 . . . . 0.0 111.034 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 65.6 p -60.75 170.9 1.31 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.453 0.737 . . . . 0.0 110.048 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 70.2 mtt-85 58.38 177.37 0.06 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.515 1.135 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.486 ' N ' ' CZ2' ' A' ' 113' ' ' TRP . . . -169.41 -160.65 18.12 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.517 1.135 . . . . 0.0 110.987 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -143.29 138.59 29.66 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.537 0.786 . . . . 0.0 110.266 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.1 mt -83.07 155.73 23.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.524 1.14 . . . . 0.0 109.268 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 41.3 p-90 -166.94 174.41 8.48 Favored 'General case' 0 C--N 1.325 -0.492 0 N-CA-C 108.021 -1.103 . . . . 0.0 108.021 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.702 HD11 HD22 ' A' ' 60' ' ' LEU . 14.9 mt -114.31 143.95 44.05 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -115.36 101.09 8.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -70.3 148.15 95.53 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.981 -179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.59 ' O ' HG22 ' A' ' 23' ' ' THR . 18.3 Cg_endo -74.98 170.82 19.57 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.478 1.778 . . . . 0.0 111.004 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.59 HG22 ' O ' ' A' ' 22' ' ' PRO . 7.4 t 45.77 -164.92 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.535 1.147 . . . . 0.0 110.409 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -84.13 35.83 2.93 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.516 1.135 . . . . 0.0 110.977 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.57 -145.01 0.01 OUTLIER Glycine 0 CA--C 1.53 1.0 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 171.65 17.89 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.513 1.797 . . . . 0.0 111.028 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 173.81 13.88 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.459 1.768 . . . . 0.0 110.995 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 104.99 2.0 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.499 1.789 . . . . 0.0 111.002 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.2 mp -77.67 124.11 35.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.517 1.136 . . . . 0.0 109.235 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -89.63 110.54 21.41 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.463 1.102 . . . . 0.0 111.031 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.91 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 2.0 mt -62.13 161.33 24.68 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.516 1.135 . . . . 0.0 109.316 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 126.62 10.08 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.522 1.801 . . . . 0.0 111.006 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 5.2 m -86.22 -27.65 24.36 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 1.124 . . . . 0.0 109.974 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.48 -38.66 63.85 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.469 1.106 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 138.65 -12.86 3.44 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.531 1.144 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 14.4 mt-30 -49.18 176.26 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 0.759 . . . . 0.0 110.271 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.716 ' HB1' ' CG ' ' A' ' 59' ' ' GLU . . . -125.34 125.97 44.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.465 1.103 . . . . 0.0 109.324 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 38' ' ' LEU . 9.1 tp -92.62 106.77 18.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.447 1.092 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.704 HG13 ' HA ' ' A' ' 56' ' ' ASN . 2.0 t -76.37 111.35 12.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.496 1.123 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.466 HD22 HD13 ' A' ' 60' ' ' LEU . 1.4 mp -95.55 158.46 15.44 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.329 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.431 ' HA2' HD21 ' A' ' 102' ' ' LEU . . . 155.39 -155.47 26.28 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.497 1.123 . . . . 0.0 110.975 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.3 mtp180 -61.13 142.97 56.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.549 0.794 . . . . 0.0 110.296 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 128.98 -170.32 20.15 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.484 1.115 . . . . 0.0 110.985 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -1.76 11.65 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.479 1.779 . . . . 0.0 110.984 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.15 -61.8 2.36 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.522 1.139 . . . . 0.0 109.28 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.461 ' CG2' ' HG ' ' A' ' 40' ' ' LEU . 69.6 p -117.51 9.79 13.33 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 1.116 . . . . 0.0 110.396 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 6.9 mm-40 64.93 18.35 11.45 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 110.314 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.5 HG11 ' SG ' ' A' ' 53' ' ' CYS . 54.5 t -81.63 134.39 27.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.514 1.134 . . . . 0.0 109.319 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 48.2 p -130.05 28.21 5.06 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.513 1.133 . . . . 0.0 110.374 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 31.8 t0 -88.94 127.95 35.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.523 1.139 . . . . 0.0 109.29 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 32.0 mtm180 -54.17 -44.24 71.34 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.529 1.143 . . . . 0.0 110.307 179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 17.5 mmtt -53.63 -28.41 32.7 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 1.127 . . . . 0.0 109.3 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.5 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -79.44 124.1 28.14 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 108.278 -179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -102.43 141.17 35.69 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.989 -179.992 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 54' ' ' SER . 18.3 mtp180 -38.19 -38.47 0.34 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.509 1.131 . . . . 0.0 110.298 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.704 ' HA ' HG13 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -122.02 62.27 0.95 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 109.299 180.0 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 40.5 tp60 -70.31 -34.55 72.85 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.494 1.121 . . . . 0.0 110.289 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.0 m -151.22 169.43 1.52 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.082 . . . . 0.0 109.312 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.716 ' CG ' ' HB1' ' A' ' 37' ' ' ALA . 4.1 tt0 -128.96 105.2 8.05 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.322 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.702 HD22 HD11 ' A' ' 19' ' ' LEU . 1.9 mp -90.39 141.01 29.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.508 1.13 . . . . 0.0 109.296 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.506 HD11 ' HB2' ' A' ' 37' ' ' ALA . 40.7 mt -140.77 117.04 7.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.304 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.91 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.49 127.59 33.44 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.543 1.152 . . . . 0.0 109.307 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 27.2 t0 -126.15 87.29 56.42 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.517 1.136 . . . . 0.0 109.266 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 0.73 8.56 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.467 1.772 . . . . 0.0 111.001 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -69.38 -48.14 62.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.495 1.122 . . . . 0.0 110.289 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 4.7 m -125.73 24.3 7.16 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.475 1.109 . . . . 0.0 110.005 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.566 ' HD3' ' CZ3' ' A' ' 113' ' ' TRP . 0.2 OUTLIER 51.19 54.31 11.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 110.305 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.9 p -138.2 172.29 13.12 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.143 . . . . 0.0 110.409 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.43 ' HA ' ' O ' ' A' ' 61' ' ' ILE . 84.1 t -141.18 128.56 21.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 109.334 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.478 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . . . -85.28 145.98 27.27 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.47 1.106 . . . . 0.0 109.318 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.69 HG21 HD13 ' A' ' 94' ' ' LEU . 38.6 t -132.97 137.39 53.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.497 1.123 . . . . 0.0 109.318 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.505 ' HG2' HD23 ' A' ' 74' ' ' LEU . 3.6 ttpt -145.49 124.92 13.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.423 ' HG2' ' HA ' ' A' ' 88' ' ' PRO . 37.5 tt0 -84.06 118.58 24.16 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.562 1.164 . . . . 0.0 110.28 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.505 HD23 ' HG2' ' A' ' 72' ' ' LYS . 0.0 OUTLIER -109.83 -1.34 17.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.325 179.984 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.55 -145.17 15.68 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.515 1.134 . . . . 0.0 111.004 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -121.95 -50.91 3.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.529 0.782 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 50.5 m-80 -56.56 139.43 75.42 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.481 1.113 . . . . 0.0 109.331 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 122.07 6.97 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.521 1.801 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 9.0 m -90.92 158.66 16.62 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.984 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 86.9 m -118.11 120.54 38.05 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.516 1.135 . . . . 0.0 110.4 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.795 HG13 ' CD1' ' A' ' 94' ' ' LEU . 76.0 t -101.29 90.22 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.546 1.154 . . . . 0.0 109.293 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 84.4 -92.39 1.72 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.424 ' O ' HG22 ' A' ' 83' ' ' VAL . 10.7 p -132.8 20.31 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.463 0.743 . . . . 0.0 109.307 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -125.12 148.0 48.76 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 1.125 . . . . 0.0 110.27 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -94.69 141.69 28.32 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 110.307 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.491 HD11 HG21 ' A' ' 81' ' ' VAL . 11.3 mt -105.84 -172.37 2.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.504 1.127 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 2.9 mttt -143.62 169.44 10.42 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.506 1.128 . . . . 0.0 109.292 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.423 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.99 95.76 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.51 1.795 . . . . 0.0 111.023 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 117.13 1.59 18.77 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.434 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.0 tp -86.01 -177.77 6.39 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.477 0.751 . . . . 0.0 109.329 179.959 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 0.6 OUTLIER -158.99 139.67 12.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 110.008 179.989 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -138.49 -167.91 11.12 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.015 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -133.68 146.79 51.17 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 0.775 . . . . 0.0 109.959 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.795 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -119.57 129.68 54.77 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.497 1.123 . . . . 0.0 109.284 179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.2 m -98.2 163.67 12.64 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 110.043 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.435 HD21 ' N ' ' A' ' 113' ' ' TRP . 2.3 mt -56.14 107.84 0.4 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 114.89 -35.18 4.52 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.501 1.126 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -49.95 150.64 2.18 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.49 0.759 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.417 ' CG1' ' HB3' ' A' ' 108' ' ' PRO . 40.3 t -104.05 157.37 5.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 109.276 -180.0 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.542 HD23 HD21 ' A' ' 60' ' ' LEU . 49.9 tp -137.66 84.44 2.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.442 1.089 . . . . 0.0 109.337 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.435 ' O ' ' C ' ' A' ' 102' ' ' LEU . 90.2 m-85 -61.94 98.13 0.09 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 110.996 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.586 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -37.47 -58.33 0.86 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.278 179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.622 HG22 ' H ' ' A' ' 104' ' ' ASN . 9.9 p -163.08 174.96 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.343 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.622 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.5 OUTLIER 43.8 34.17 0.84 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.998 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 47.61 22.52 1.81 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.496 1.123 . . . . 0.0 110.996 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 40.0 mt -119.84 -171.19 2.09 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 0.746 . . . . 0.0 109.25 -179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.471 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 3.0 m-85 47.33 60.38 15.25 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 111.01 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.471 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.3 Cg_endo -74.97 126.78 10.21 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.508 1.794 . . . . 0.0 111.014 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.586 ' CD2' HD12 ' A' ' 102' ' ' LEU . 3.8 mm? -105.16 88.01 2.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 109.304 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 86.6 m -62.51 131.23 48.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.399 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.518 HD12 ' N ' ' A' ' 112' ' ' ARG . 11.1 tp -82.14 127.96 33.66 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.504 1.128 . . . . 0.0 109.33 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.518 ' N ' HD12 ' A' ' 111' ' ' LEU . 30.5 mmt180 -130.82 157.03 43.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.55 1.156 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.566 ' CZ3' ' HD3' ' A' ' 67' ' ' ARG . 2.0 t-105 -118.29 147.59 43.3 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 107.975 -1.12 . . . . 0.0 107.975 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.401 ' O ' ' NE1' ' A' ' 113' ' ' TRP . 0.3 OUTLIER -99.53 134.72 42.0 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 110.009 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 162.36 165.99 20.34 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.485 1.115 . . . . 0.0 111.045 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 139.27 23.97 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.501 1.79 . . . . 0.0 111.001 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 33.2 t 63.84 101.12 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.457 1.098 . . . . 0.0 109.971 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.3 p -135.6 124.49 24.08 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.996 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 O-C-N 124.53 1.144 . . . . 0.0 110.964 179.979 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 N-CA-C 110.978 -0.849 . . . . 0.0 110.978 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.0 p -113.66 141.39 47.28 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.519 0.776 . . . . 0.0 110.018 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 51.42 89.16 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.025 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.53 121.0 4.71 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 t -113.99 -60.12 1.93 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 0.775 . . . . 0.0 110.016 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 63.66 160.34 0.09 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 110.031 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.68 97.44 0.01 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.508 1.13 . . . . 0.0 111.012 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -171.13 119.22 0.49 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.502 0.766 . . . . 0.0 110.999 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 33.9 p -161.04 167.28 26.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 110.027 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -128.68 96.25 4.33 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.545 1.153 . . . . 0.0 110.319 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.4 mt -120.75 167.81 12.09 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.535 1.147 . . . . 0.0 109.27 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -147.82 134.52 5.16 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.441 1.088 . . . . 0.0 111.043 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 14.7 m -72.6 118.22 15.25 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.492 0.76 . . . . 0.0 109.942 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 10.7 mmt-85 -135.21 171.89 13.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.509 1.131 . . . . 0.0 110.271 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . -175.47 -156.39 14.55 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.446 1.091 . . . . 0.0 110.994 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.482 ' HD2' ' CE1' ' A' ' 30' ' ' PHE . 1.3 ptt-85 -145.68 136.45 24.4 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.506 0.768 . . . . 0.0 110.32 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.493 HD22 HD11 ' A' ' 111' ' ' LEU . 3.3 mt -78.01 157.98 29.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.338 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 22.4 p-90 -166.94 171.48 11.15 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.568 1.167 . . . . 0.0 107.963 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 10.9 mt -114.09 139.83 48.98 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 38.7 tt0 -112.67 105.11 13.2 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.507 1.129 . . . . 0.0 110.321 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.4 p -96.79 148.28 34.18 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.02 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 168.74 24.14 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.516 1.798 . . . . 0.0 110.986 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.461 ' CG2' ' N ' ' A' ' 24' ' ' GLY . 1.4 m 63.6 168.08 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.525 1.141 . . . . 0.0 110.42 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.461 ' N ' ' CG2' ' A' ' 23' ' ' THR . . . -87.96 31.74 4.57 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.485 1.116 . . . . 0.0 111.006 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.401 ' O ' ' O ' ' A' ' 24' ' ' GLY . . . -59.56 -122.93 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 162.64 36.88 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.49 1.784 . . . . 0.0 110.981 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 173.59 14.25 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.513 1.796 . . . . 0.0 111.013 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 123.67 8.03 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.471 1.774 . . . . 0.0 111.007 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.508 HD11 ' O ' ' A' ' 45' ' ' LEU . 2.7 mp -94.23 131.57 40.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.523 1.139 . . . . 0.0 109.296 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.482 ' CE1' ' HD2' ' A' ' 16' ' ' ARG . 42.1 m-85 -101.54 110.87 22.95 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.459 1.099 . . . . 0.0 111.025 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.791 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 2.1 mt -61.23 156.53 49.68 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.323 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.485 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.3 Cg_endo -74.96 135.97 19.85 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.467 1.772 . . . . 0.0 111.018 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.0 m -88.98 -31.32 18.19 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.494 1.121 . . . . 0.0 110.039 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -46.52 -29.68 1.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.316 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 120.33 -0.16 12.75 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.517 1.135 . . . . 0.0 110.987 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.753 ' O ' HG23 ' A' ' 61' ' ' ILE . 30.6 mt-30 -57.23 167.14 0.96 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.472 0.748 . . . . 0.0 110.304 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.675 ' HB1' ' HG2' ' A' ' 59' ' ' GLU . . . -115.27 120.47 39.77 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.509 1.131 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.455 HD12 ' HA ' ' A' ' 38' ' ' LEU . 11.6 tp -98.41 114.91 27.43 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.526 HG11 ' CG ' ' A' ' 56' ' ' ASN . 2.3 t -87.45 129.35 39.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.436 HD23 ' HA ' ' A' ' 40' ' ' LEU . 13.4 mt -101.15 172.35 7.06 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.12 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 151.91 -154.27 25.44 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.527 1.142 . . . . 0.0 110.998 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 0.6 OUTLIER -68.01 137.38 55.03 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 110.295 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 144.16 -175.42 23.99 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 -0.18 9.66 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.566 1.824 . . . . 0.0 110.986 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.508 ' O ' HD11 ' A' ' 29' ' ' ILE . 6.5 mp -61.01 -60.49 3.71 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.468 1.105 . . . . 0.0 109.332 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.415 HG21 HD11 ' A' ' 102' ' ' LEU . 56.0 p -114.62 9.09 16.47 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.548 1.155 . . . . 0.0 110.443 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 7.4 mm-40 65.19 23.09 12.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 1.087 . . . . 0.0 110.274 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.712 HG11 ' SG ' ' A' ' 53' ' ' CYS . 85.3 t -86.59 129.54 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.471 1.107 . . . . 0.0 109.315 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 13.5 p -131.19 20.19 4.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.54 1.15 . . . . 0.0 110.442 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 12.4 t0 -79.76 138.9 37.41 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.556 1.16 . . . . 0.0 109.361 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.7 mtp180 -64.35 -22.73 67.05 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 110.282 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -70.21 -27.41 64.46 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.712 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -81.84 132.25 35.27 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 108.292 -179.984 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.413 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -108.84 137.09 47.32 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.036 179.939 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.413 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -37.68 -36.72 0.19 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.497 1.123 . . . . 0.0 110.323 179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.526 ' CG ' HG11 ' A' ' 39' ' ' VAL . 2.0 m-80 -125.1 65.55 1.13 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.713 ' HG3' HG13 ' A' ' 58' ' ' VAL . 38.9 tp60 -70.36 -60.92 1.99 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 110.309 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.713 HG13 ' HG3' ' A' ' 57' ' ' GLN . 20.8 m -137.3 162.34 33.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.44 1.087 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.995 ' HB2' HD11 ' A' ' 74' ' ' LEU . 11.3 tt0 -112.39 125.23 53.98 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 1.126 . . . . 0.0 110.277 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.525 HD21 HD23 ' A' ' 100' ' ' LEU . 2.7 mp -107.39 122.29 46.3 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.775 HD13 ' HB3' ' A' ' 70' ' ' ALA . 0.3 OUTLIER -123.85 117.36 50.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.552 1.158 . . . . 0.0 109.265 -179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.791 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -75.0 126.86 31.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.481 1.113 . . . . 0.0 109.322 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -121.25 89.92 47.02 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.513 1.133 . . . . 0.0 109.266 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 -0.66 10.26 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.523 1.802 . . . . 0.0 111.0 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -60.16 -44.36 95.08 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.505 1.128 . . . . 0.0 110.34 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.0 m -139.21 22.55 2.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.137 . . . . 0.0 110.0 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.521 ' HD3' ' CZ3' ' A' ' 113' ' ' TRP . 18.7 mmt85 59.82 63.57 1.45 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.514 1.134 . . . . 0.0 110.278 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 4.6 p -141.53 174.37 10.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.391 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . . . . . . . . . 58.6 t -147.32 136.72 16.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.464 1.103 . . . . 0.0 109.324 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.775 ' HB3' HD13 ' A' ' 61' ' ' ILE . . . -95.47 145.0 25.5 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.681 HG21 ' CD1' ' A' ' 94' ' ' LEU . 80.7 t -131.5 116.08 30.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.4 ttpt -124.37 121.8 35.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.534 1.146 . . . . 0.0 109.341 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.584 ' HA ' HG12 ' A' ' 58' ' ' VAL . 33.9 tt0 -77.0 116.71 17.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.485 1.116 . . . . 0.0 110.298 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.995 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -112.31 -0.05 15.55 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.479 1.112 . . . . 0.0 109.337 179.952 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -95.95 -146.75 21.48 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.519 1.137 . . . . 0.0 110.993 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -119.14 -45.41 2.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.511 0.771 . . . . 0.0 109.324 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -61.41 137.97 94.71 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.108 . . . . 0.0 109.329 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 125.18 9.18 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.504 1.791 . . . . 0.0 111.013 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -95.11 159.24 15.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 109.944 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.52 HG23 ' O ' ' A' ' 84' ' ' GLN . 72.1 m -122.4 123.68 41.9 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.468 1.105 . . . . 0.0 110.417 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.472 HG13 ' CD1' ' A' ' 94' ' ' LEU . 52.9 t -100.4 88.06 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.505 1.128 . . . . 0.0 109.271 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 86.88 -92.51 1.81 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.548 1.155 . . . . 0.0 111.001 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.1 p -131.86 19.83 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.524 0.779 . . . . 0.0 109.269 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.52 ' O ' HG23 ' A' ' 80' ' ' THR . 14.0 tt0 -125.03 145.02 50.1 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.282 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -92.78 142.34 27.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.525 1.141 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.465 HD23 ' HA ' ' A' ' 86' ' ' LEU . 11.3 mt -103.43 -172.46 2.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.521 1.138 . . . . 0.0 109.372 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.482 ' HB2' HD22 ' A' ' 90' ' ' LEU . 2.2 mtpp -143.83 172.08 6.02 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 109.315 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 113.15 3.73 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.455 1.766 . . . . 0.0 111.042 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.12 0.82 59.76 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.47 1.106 . . . . 0.0 110.985 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.482 HD22 ' HB2' ' A' ' 87' ' ' LYS . 5.2 tp -83.34 -178.76 7.18 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 0.754 . . . . 0.0 109.32 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -158.4 141.82 15.12 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 109.982 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -141.42 -167.85 11.31 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.513 1.133 . . . . 0.0 110.97 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 81.7 p -133.68 153.87 51.36 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.491 0.76 . . . . 0.0 109.991 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.681 ' CD1' HG21 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -126.75 126.35 43.28 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.468 1.105 . . . . 0.0 109.262 -179.973 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.9 m -90.96 158.19 16.87 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.531 1.145 . . . . 0.0 110.038 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.6 mt -55.48 103.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.439 1.087 . . . . 0.0 109.297 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 119.34 -24.25 8.22 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.485 1.115 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -60.97 151.69 29.78 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 0.755 . . . . 0.0 109.301 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.48 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 46.9 t -101.28 162.22 3.46 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.522 1.139 . . . . 0.0 109.281 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.525 HD23 HD21 ' A' ' 60' ' ' LEU . 64.1 tp -143.51 84.9 1.82 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.5 1.125 . . . . 0.0 109.277 -179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.453 ' CD1' ' O ' ' A' ' 105' ' ' GLY . 98.1 m-85 -60.89 100.98 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 111.021 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.683 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -36.78 -59.88 0.65 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.44 1.088 . . . . 0.0 109.324 -179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.527 HG22 ' N ' ' A' ' 104' ' ' ASN . 2.8 p -165.1 167.61 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.547 1.155 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.527 ' N ' HG22 ' A' ' 103' ' ' VAL . 0.7 OUTLIER 53.34 26.88 5.66 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 109.353 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.453 ' O ' ' CD1' ' A' ' 101' ' ' TYR . . . 54.73 17.46 9.1 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.48 1.113 . . . . 0.0 111.037 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 89.9 mt -112.24 -170.91 1.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.5 0.765 . . . . 0.0 109.323 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.44 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 15.1 m-85 42.68 62.1 8.6 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.51 1.131 . . . . 0.0 110.999 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.48 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.1 Cg_endo -75.07 128.29 11.31 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.513 1.796 . . . . 0.0 110.953 -179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.683 ' CD2' HD12 ' A' ' 102' ' ' LEU . 4.2 mm? -108.17 108.94 20.21 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.475 1.109 . . . . 0.0 109.246 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 53.5 m -82.64 132.81 35.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 110.405 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.493 HD11 HD22 ' A' ' 17' ' ' LEU . 15.6 tp -86.21 130.23 34.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.559 1.162 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -134.76 157.27 47.18 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.521 1.138 . . . . 0.0 110.329 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.521 ' CZ3' ' HD3' ' A' ' 67' ' ' ARG . 3.2 t-105 -123.49 136.07 54.39 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.536 1.148 . . . . 0.0 108.046 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.4 t -85.12 135.15 34.1 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.472 1.107 . . . . 0.0 109.953 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -179.19 104.49 0.19 Allowed Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.507 1.129 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 64.39 6.08 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.46 1.769 . . . . 0.0 110.983 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 78.8 p -174.58 72.01 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.475 1.109 . . . . 0.0 110.01 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -91.12 116.9 29.17 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 110.023 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 O-C-N 124.529 1.143 . . . . 0.0 110.941 -179.976 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -166.83 147.81 5.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.504 0.767 . . . . 0.0 109.981 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 48.3 t -135.78 156.51 48.69 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.51 1.131 . . . . 0.0 109.98 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -128.23 66.47 0.57 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.533 1.146 . . . . 0.0 110.993 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -75.68 167.03 22.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 110.013 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 91.5 p -90.45 83.05 5.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.559 1.162 . . . . 0.0 110.0 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 71.94 134.09 0.15 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.517 1.135 . . . . 0.0 110.999 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 1.8 mpp? -115.98 -55.94 2.37 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.506 0.768 . . . . 0.0 110.958 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 8.2 t -96.27 99.3 11.02 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.528 1.143 . . . . 0.0 109.988 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 17.9 tm0? -174.93 89.44 0.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.323 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.2 mt -41.24 129.55 2.92 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.513 1.133 . . . . 0.0 109.269 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 162.04 57.85 0.02 OUTLIER Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.507 1.129 . . . . 0.0 111.03 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.4 m -120.49 160.02 23.99 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.56 0.8 . . . . 0.0 110.014 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.6 ptt85 -70.89 129.26 38.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.312 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.42 ' HA3' ' CE2' ' A' ' 113' ' ' TRP . . . -51.66 179.21 0.05 OUTLIER Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.493 1.12 . . . . 0.0 111.007 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 1.9 mmt85 -133.09 134.45 44.3 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 0.763 . . . . 0.0 110.292 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.7 mt -84.34 141.41 30.92 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 53.6 p-90 -160.66 164.01 32.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.531 1.145 . . . . 0.0 107.97 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.598 HD11 HD22 ' A' ' 60' ' ' LEU . 6.6 mt -103.41 142.99 33.28 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.546 1.154 . . . . 0.0 109.311 -180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 35.8 tt0 -114.16 93.36 4.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 110.291 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 3.1 p -77.88 148.36 75.51 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.019 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 168.29 25.16 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.45 1.763 . . . . 0.0 111.005 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.479 ' CG2' ' N ' ' A' ' 24' ' ' GLY . 1.6 m 63.2 169.46 0.15 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 110.409 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.479 ' N ' ' CG2' ' A' ' 23' ' ' THR . . . -86.93 29.51 5.03 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.519 1.137 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.16 -119.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.46 ' CG ' ' HG3' ' A' ' 47' ' ' GLN . 18.2 Cg_endo -74.99 155.8 43.01 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.525 1.803 . . . . 0.0 110.955 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 173.79 13.89 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.466 1.772 . . . . 0.0 111.059 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 112.75 3.63 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.539 1.81 . . . . 0.0 111.039 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 mp -82.64 135.55 24.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 14.4 m-85 -96.78 108.24 20.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.818 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 2.0 mt -56.0 152.52 20.82 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 118.87 5.41 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.469 1.773 . . . . 0.0 110.993 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 47.3 t -77.0 -27.37 54.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.472 1.107 . . . . 0.0 109.993 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 12.3 t70 -49.36 -28.96 5.54 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.538 1.149 . . . . 0.0 109.289 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.52 -7.79 12.25 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.501 1.126 . . . . 0.0 111.008 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 17.9 mt-30 -53.95 171.72 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 110.31 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.848 ' HB1' ' CG ' ' A' ' 59' ' ' GLU . . . -114.7 118.19 32.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.403 HD12 ' HA ' ' A' ' 38' ' ' LEU . 11.4 tp -91.08 105.11 17.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.316 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.633 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.6 t -76.2 122.2 29.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.507 1.129 . . . . 0.0 109.263 -179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.431 HD23 ' HA ' ' A' ' 40' ' ' LEU . 12.7 mt -106.89 157.26 17.9 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.482 1.114 . . . . 0.0 109.308 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 160.28 -150.84 21.23 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.499 1.124 . . . . 0.0 110.996 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 0.5 OUTLIER -64.01 136.13 57.04 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.505 0.768 . . . . 0.0 110.341 179.986 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 139.08 -169.82 24.31 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.52 1.138 . . . . 0.0 110.968 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -1.8 11.71 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.15 -61.84 2.33 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.311 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.671 ' OG1' HG23 ' A' ' 48' ' ' VAL . 73.2 p -117.87 10.85 13.33 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.521 1.138 . . . . 0.0 110.379 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.46 ' HG3' ' CG ' ' A' ' 26' ' ' PRO . 2.4 mm-40 66.04 16.77 10.59 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.536 1.147 . . . . 0.0 110.336 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.797 HG11 ' SG ' ' A' ' 53' ' ' CYS . 88.3 t -79.26 130.24 36.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.297 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 4.4 p -131.05 25.41 4.93 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.512 1.132 . . . . 0.0 110.38 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -89.04 145.22 25.62 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -66.03 -40.46 91.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 110.302 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 16.0 mmtm -55.71 -19.39 10.75 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.126 . . . . 0.0 109.314 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.797 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -89.96 129.81 36.25 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.567 1.167 . . . . 0.0 108.305 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.2 OUTLIER -108.65 136.49 48.16 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 110.051 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.409 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -38.17 -35.72 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.126 . . . . 0.0 110.344 179.99 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.633 ' HA ' HG13 ' A' ' 39' ' ' VAL . 1.6 p30 -123.86 57.56 1.19 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.334 179.955 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.419 ' HG3' HG13 ' A' ' 58' ' ' VAL . 40.4 tp60 -62.2 -44.79 95.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 110.346 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.419 HG13 ' HG3' ' A' ' 57' ' ' GLN . 7.0 m -149.28 157.56 6.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.288 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.848 ' CG ' ' HB1' ' A' ' 37' ' ' ALA . 31.7 tt0 -111.22 108.0 17.5 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 110.292 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.598 HD22 HD11 ' A' ' 19' ' ' LEU . 3.6 mp -90.1 136.39 33.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.313 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.443 HD11 ' HB2' ' A' ' 37' ' ' ALA . 24.3 mt -135.85 114.98 16.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.546 1.154 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.818 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.64 124.99 27.72 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.293 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -119.71 88.63 39.89 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.309 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.97 8.25 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.52 1.8 . . . . 0.0 111.002 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -81.36 -23.15 37.89 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 110.259 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.733 ' O ' HG23 ' A' ' 68' ' ' THR . 0.6 OUTLIER -146.83 25.33 1.16 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 110.024 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 5.3 mpt_? 42.4 46.25 4.0 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.487 1.117 . . . . 0.0 110.272 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.733 HG23 ' O ' ' A' ' 66' ' ' SER . 2.4 p -125.2 176.22 6.88 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.503 1.127 . . . . 0.0 110.408 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.507 HG23 HD21 ' A' ' 111' ' ' LEU . 86.9 t -151.85 123.49 1.06 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.54 1.15 . . . . 0.0 109.28 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -85.91 145.92 26.94 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.602 HG21 HD13 ' A' ' 94' ' ' LEU . 38.3 t -133.13 109.69 14.29 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.479 1.112 . . . . 0.0 109.257 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.414 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 6.3 ttmt -109.48 129.43 55.56 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.466 1.104 . . . . 0.0 109.269 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.408 ' HG2' ' HA ' ' A' ' 88' ' ' PRO . 36.9 tt0 -84.87 115.12 22.59 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.118 . . . . 0.0 110.296 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.837 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -116.38 8.01 14.03 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.304 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -101.91 -153.1 25.28 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.544 1.152 . . . . 0.0 111.041 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.2 p -114.87 -47.62 4.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.529 0.782 . . . . 0.0 109.282 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.413 ' O ' ' NE2' ' A' ' 57' ' ' GLN . 1.9 m120 -64.3 137.33 97.09 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.477 1.111 . . . . 0.0 109.307 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 129.08 12.02 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.515 1.797 . . . . 0.0 110.962 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 6.0 m -102.04 159.35 15.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.571 1.169 . . . . 0.0 110.041 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.4 m -117.01 120.05 37.2 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.502 1.126 . . . . 0.0 110.378 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.888 HG13 HD12 ' A' ' 94' ' ' LEU . 35.9 t -98.03 81.0 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.454 1.096 . . . . 0.0 109.285 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 97.11 -92.89 1.38 Allowed Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.526 1.141 . . . . 0.0 110.968 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.1 p -133.96 15.06 1.31 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 0.762 . . . . 0.0 109.292 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 16.3 tt0 -125.02 136.28 53.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -80.8 143.18 33.03 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.505 1.128 . . . . 0.0 110.314 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.484 HD11 HG21 ' A' ' 81' ' ' VAL . 10.5 mt -101.32 -177.12 3.35 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.511 1.132 . . . . 0.0 109.302 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.475 ' HB2' HD22 ' A' ' 90' ' ' LEU . 0.1 OUTLIER -137.91 169.78 12.1 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.498 1.124 . . . . 0.0 109.32 179.988 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.408 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -74.95 110.2 3.07 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.48 1.779 . . . . 0.0 111.012 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.6 3.65 56.19 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.492 1.12 . . . . 0.0 110.974 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.475 HD22 ' HB2' ' A' ' 87' ' ' LYS . 5.2 tp -85.95 179.27 7.04 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.495 0.761 . . . . 0.0 109.277 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -158.38 133.77 8.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.151 . . . . 0.0 110.032 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -134.59 -167.77 11.54 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.524 1.14 . . . . 0.0 110.988 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -133.26 152.05 51.92 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 0.778 . . . . 0.0 109.985 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.888 HD12 HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -124.34 128.45 49.12 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.105 . . . . 0.0 109.328 -179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 43.9 m -92.68 161.98 14.34 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.563 1.164 . . . . 0.0 109.954 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.502 HD21 ' CB ' ' A' ' 113' ' ' TRP . 4.7 mt -57.05 110.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.442 1.089 . . . . 0.0 109.326 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 113.69 -34.04 5.2 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.498 1.124 . . . . 0.0 111.005 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 3.7 m-20 -50.32 150.31 2.6 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.537 0.786 . . . . 0.0 109.313 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.559 HG13 ' HB2' ' A' ' 108' ' ' PRO . 91.3 t -99.37 159.52 3.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.538 HD13 HG22 ' A' ' 81' ' ' VAL . 37.0 tp -140.78 84.57 1.95 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.334 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.439 ' O ' ' C ' ' A' ' 102' ' ' LEU . 96.5 m-85 -61.22 98.79 0.08 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.99 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.612 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -37.4 -58.53 0.83 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 109.313 179.981 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.58 HG22 ' H ' ' A' ' 104' ' ' ASN . 8.2 p -161.9 173.25 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.537 1.148 . . . . 0.0 109.262 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.58 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.5 OUTLIER 42.83 35.7 0.76 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.402 ' O ' ' CD1' ' A' ' 101' ' ' TYR . . . 47.53 22.36 1.67 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.527 1.142 . . . . 0.0 111.006 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 40.5 mt -118.09 -171.42 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.459 0.74 . . . . 0.0 109.341 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.459 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 3.9 m-85 43.22 60.6 10.63 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.548 1.155 . . . . 0.0 110.979 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.559 ' HB2' HG13 ' A' ' 99' ' ' VAL . 18.3 Cg_endo -75.02 127.93 11.06 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.504 1.792 . . . . 0.0 111.013 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.612 ' CD2' HD12 ' A' ' 102' ' ' LEU . 3.4 mm? -104.64 96.36 6.53 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.483 1.114 . . . . 0.0 109.273 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.402 ' O ' ' HA ' ' A' ' 19' ' ' LEU . 29.6 m -68.4 133.43 48.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.496 1.123 . . . . 0.0 110.454 179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.507 HD21 HG23 ' A' ' 69' ' ' VAL . 64.9 tp -89.37 129.07 35.95 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.481 1.113 . . . . 0.0 109.279 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 26.4 mmt180 -130.7 169.66 15.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.553 1.158 . . . . 0.0 110.307 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.502 ' CB ' HD21 ' A' ' 96' ' ' LEU . 0.4 OUTLIER -138.81 129.93 26.8 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 108.012 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.5 t -75.89 127.98 34.13 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.508 1.13 . . . . 0.0 109.998 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -153.23 156.3 26.65 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.484 1.115 . . . . 0.0 110.993 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 154.56 42.9 Favored 'Trans proline' 0 C--N 1.359 1.125 0 O-C-N 124.524 1.802 . . . . 0.0 111.04 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 31.2 t 62.21 96.83 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 40.0 p -137.7 160.41 39.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.567 1.167 . . . . 0.0 110.022 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.541 1.151 . . . . 0.0 110.979 179.988 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.004 -0.838 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.5 p -47.38 167.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.485 0.756 . . . . 0.0 109.976 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.6 t -113.23 -58.91 2.09 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.041 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 167.32 -152.85 21.88 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.476 1.11 . . . . 0.0 110.971 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -146.49 142.7 28.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 0.742 . . . . 0.0 110.024 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.5 t -108.94 117.05 33.18 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.536 1.148 . . . . 0.0 110.025 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.99 132.88 3.05 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.519 1.137 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -45.33 112.08 0.41 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.519 0.776 . . . . 0.0 111.041 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 32.2 t -149.1 143.74 26.21 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.492 1.12 . . . . 0.0 110.022 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.4 pt20 -177.03 129.9 0.17 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.479 1.112 . . . . 0.0 110.312 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -105.01 164.76 11.55 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.566 1.166 . . . . 0.0 109.315 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -109.6 -133.41 6.67 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.469 1.105 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 20.3 m -142.09 156.43 45.39 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.489 0.758 . . . . 0.0 110.033 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 -120.64 160.38 23.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.454 1.096 . . . . 0.0 110.314 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.569 ' HA3' ' CZ2' ' A' ' 113' ' ' TRP . . . -54.14 175.94 0.39 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.55 1.156 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -140.27 128.28 22.14 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.532 0.783 . . . . 0.0 110.241 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mt -82.19 138.46 34.68 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.499 1.125 . . . . 0.0 109.309 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.419 ' C ' HD13 ' A' ' 19' ' ' LEU . 52.6 p-90 -159.93 160.12 33.12 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 107.958 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.806 ' CD2' HD21 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -98.82 148.05 24.3 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.498 1.124 . . . . 0.0 109.31 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 29.7 tt0 -113.56 109.52 18.76 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.538 1.149 . . . . 0.0 110.291 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -84.77 148.3 51.02 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 109.987 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 169.44 22.6 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.52 1.8 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 12.5 t -44.43 148.37 0.48 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.473 1.108 . . . . 0.0 110.387 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 62.42 46.0 94.74 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.509 1.13 . . . . 0.0 110.995 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -141.99 -177.35 17.02 Favored Glycine 0 CA--C 1.531 1.036 0 N-CA-C 110.991 -0.843 . . . . 0.0 110.991 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.46 14.48 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.53 1.805 . . . . 0.0 110.967 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.4 14.58 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.51 1.795 . . . . 0.0 111.004 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 113.38 3.78 Favored 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.535 1.808 . . . . 0.0 111.011 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.9 mp -78.16 132.99 31.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.539 1.15 . . . . 0.0 109.296 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -98.18 102.45 14.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.975 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.856 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 2.1 mt -58.73 159.29 13.25 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.652 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.3 Cg_endo -75.07 152.68 40.75 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.484 1.781 . . . . 0.0 110.966 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.404 ' C ' ' N ' ' A' ' 35' ' ' GLY . 86.0 p -97.65 -35.74 10.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 5.1 t70 -45.41 -27.43 0.7 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.473 1.108 . . . . 0.0 109.29 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.404 ' N ' ' C ' ' A' ' 33' ' ' SER . . . 116.79 -3.58 19.44 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.509 1.131 . . . . 0.0 111.016 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 21.0 mt-30 -50.42 172.55 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.493 0.76 . . . . 0.0 110.287 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.623 ' HB1' ' CG ' ' A' ' 59' ' ' GLU . . . -120.96 122.77 40.88 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 6.6 tp -95.77 109.01 21.38 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.497 1.123 . . . . 0.0 109.302 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.674 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.5 t -71.58 133.71 31.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.556 1.16 . . . . 0.0 109.317 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.684 HD12 HD13 ' A' ' 60' ' ' LEU . 13.4 mt -112.67 167.25 10.63 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 1.117 . . . . 0.0 109.337 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 147.99 -156.72 27.05 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.49 1.119 . . . . 0.0 110.987 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 0.1 OUTLIER -54.98 150.66 9.92 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 0.736 . . . . 0.0 110.283 -179.966 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 126.7 -178.46 16.8 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.538 1.149 . . . . 0.0 110.989 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -3.47 13.98 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.507 1.793 . . . . 0.0 111.011 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -59.82 -61.27 2.74 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.53 1.144 . . . . 0.0 109.273 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.696 HG21 HD11 ' A' ' 102' ' ' LEU . 66.3 p -109.05 6.3 24.9 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.518 1.136 . . . . 0.0 110.374 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 63.1 26.52 15.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 110.325 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.892 HG11 ' SG ' ' A' ' 53' ' ' CYS . 40.6 t -92.64 129.16 43.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.248 -179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 72.3 p -118.04 -9.07 10.62 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 110.398 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -51.63 152.34 2.83 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 45.5 mtm180 -80.43 -33.58 36.78 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.531 1.144 . . . . 0.0 110.303 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 7.5 mmtp -61.59 -15.08 35.84 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 109.35 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.892 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.1 OUTLIER -88.78 125.9 35.1 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 108.317 -180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -105.83 136.9 44.65 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.015 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.84 -35.71 0.22 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.538 1.148 . . . . 0.0 110.332 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.674 ' HA ' HG13 ' A' ' 39' ' ' VAL . 1.2 m-20 -125.7 58.57 1.31 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.557 1.161 . . . . 0.0 109.285 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.537 ' HG3' HG13 ' A' ' 58' ' ' VAL . 34.4 tp60 -61.86 -50.25 73.01 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.507 1.129 . . . . 0.0 110.302 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.628 HG12 ' HA ' ' A' ' 73' ' ' GLN . 4.3 m -139.74 171.16 14.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.464 1.102 . . . . 0.0 109.296 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.656 ' HB2' HD11 ' A' ' 74' ' ' LEU . 2.5 tt0 -122.15 109.15 14.17 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 110.313 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.805 HD11 ' CD2' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -93.06 140.93 28.96 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.466 1.103 . . . . 0.0 109.299 179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.6 ' O ' HG13 ' A' ' 69' ' ' VAL . 27.0 mt -139.4 121.42 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.481 1.113 . . . . 0.0 109.292 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.856 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -75.81 121.29 22.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.121 . . . . 0.0 109.299 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -120.03 86.11 36.32 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.558 1.161 . . . . 0.0 109.268 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 0.37 9.0 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.495 1.787 . . . . 0.0 110.976 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -64.24 -43.51 94.7 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.503 1.127 . . . . 0.0 110.324 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.49 ' O ' HG23 ' A' ' 68' ' ' THR . 3.0 m -137.3 26.94 2.88 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.562 1.164 . . . . 0.0 110.005 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.561 ' HD3' ' CZ3' ' A' ' 113' ' ' TRP . 1.1 mmm-85 53.39 56.93 6.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.512 1.132 . . . . 0.0 110.32 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.49 HG23 ' O ' ' A' ' 66' ' ' SER . 18.7 p -136.86 176.1 9.02 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.47 1.106 . . . . 0.0 110.405 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.6 HG13 ' O ' ' A' ' 61' ' ' ILE . 89.9 t -151.32 137.94 12.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.466 1.104 . . . . 0.0 109.28 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -92.78 146.07 23.93 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.505 1.128 . . . . 0.0 109.313 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.538 HG21 HD13 ' A' ' 94' ' ' LEU . 41.5 t -132.58 104.07 7.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.468 1.105 . . . . 0.0 109.313 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 3.4 ttmm -109.44 121.19 44.65 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.483 1.114 . . . . 0.0 109.306 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.628 ' HA ' HG12 ' A' ' 58' ' ' VAL . 38.7 tt0 -77.73 116.16 18.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.289 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.656 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -109.2 -6.76 15.44 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.317 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -87.11 -142.84 7.61 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.558 1.161 . . . . 0.0 111.02 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -126.58 -44.3 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.536 0.786 . . . . 0.0 109.283 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 31.7 m-80 -63.81 141.37 97.97 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 109.287 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 124.82 8.92 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.513 1.796 . . . . 0.0 110.975 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.3 m -96.49 159.12 15.11 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.46 1.1 . . . . 0.0 110.046 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 92.8 m -117.3 118.41 32.2 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.557 1.161 . . . . 0.0 110.353 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.946 HG13 HD12 ' A' ' 94' ' ' LEU . 6.7 t -99.38 75.56 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.119 . . . . 0.0 109.338 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 99.16 -95.52 1.56 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.543 1.152 . . . . 0.0 110.975 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 9.8 p -129.63 19.12 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.481 0.753 . . . . 0.0 109.347 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 26.5 tt0 -124.97 142.83 51.23 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.448 1.092 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.98 133.02 36.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.504 1.128 . . . . 0.0 110.265 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.5 mt -95.3 -172.52 2.68 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.287 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 4.6 mttm -143.83 169.34 10.53 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 109.283 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.431 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -74.93 96.73 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.476 1.777 . . . . 0.0 111.04 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 115.4 4.32 20.16 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.493 1.121 . . . . 0.0 111.003 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.419 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.9 tp -89.68 178.81 6.17 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.516 0.774 . . . . 0.0 109.305 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -154.93 133.82 12.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.958 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -135.51 -168.69 11.65 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.526 1.141 . . . . 0.0 111.04 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' A' ' 69' ' ' VAL . 13.6 m -134.84 152.4 51.72 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 0.786 . . . . 0.0 109.978 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.946 HD12 HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -121.17 130.86 53.91 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.493 1.12 . . . . 0.0 109.307 179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -95.94 147.09 24.04 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.457 1.098 . . . . 0.0 109.98 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.549 HD11 ' CB ' ' A' ' 113' ' ' TRP . 2.1 mt -43.71 110.25 0.19 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.526 1.142 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 112.97 -36.25 4.18 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.485 1.116 . . . . 0.0 110.957 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -50.82 149.62 3.34 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.471 0.747 . . . . 0.0 109.268 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.509 HG12 ' N ' ' A' ' 100' ' ' LEU . 94.8 t -97.35 166.69 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.805 ' CD2' HD11 ' A' ' 60' ' ' LEU . 47.8 tp -147.86 84.82 1.54 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.11 . . . . 0.0 109.295 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.468 ' CD1' ' O ' ' A' ' 105' ' ' GLY . 99.0 m-85 -61.81 100.29 0.15 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.466 1.104 . . . . 0.0 111.012 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.696 HD11 HG21 ' A' ' 46' ' ' THR . 0.0 OUTLIER -36.08 -59.88 0.58 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.507 1.129 . . . . 0.0 109.347 179.969 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.527 HG22 ' N ' ' A' ' 104' ' ' ASN . 2.8 p -164.88 167.51 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.343 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.527 ' N ' HG22 ' A' ' 103' ' ' VAL . 0.7 OUTLIER 52.85 28.2 6.22 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.46 1.1 . . . . 0.0 109.326 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.468 ' O ' ' CD1' ' A' ' 101' ' ' TYR . . . 53.78 18.42 8.25 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.477 1.111 . . . . 0.0 110.969 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 70.1 mt -112.03 -171.57 1.87 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.464 0.744 . . . . 0.0 109.27 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.495 ' O ' ' CD2' ' A' ' 109' ' ' LEU . 11.6 m-85 43.29 61.49 9.89 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.539 1.149 . . . . 0.0 111.031 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.453 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.2 Cg_endo -75.0 121.3 6.49 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.51 1.794 . . . . 0.0 111.002 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.495 ' CD2' ' O ' ' A' ' 107' ' ' TYR . 3.7 mm? -101.25 118.89 37.87 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.515 1.134 . . . . 0.0 109.307 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.41 ' O ' ' HA ' ' A' ' 19' ' ' LEU . 22.5 m -91.86 126.08 36.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 110.43 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.597 HD21 HG23 ' A' ' 69' ' ' VAL . 52.5 tp -79.72 129.32 34.38 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 26.7 mmt180 -127.53 165.51 19.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.542 1.151 . . . . 0.0 110.263 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.569 ' CZ2' ' HA3' ' A' ' 15' ' ' GLY . 1.6 t-105 -138.48 132.02 30.62 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 107.989 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.481 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 4.6 t -77.93 146.27 35.62 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.485 1.116 . . . . 0.0 109.97 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 147.42 137.01 2.89 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.499 1.125 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 154.02 42.17 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.491 1.785 . . . . 0.0 111.033 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 51.7 p -104.95 -58.56 1.87 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 1.115 . . . . 0.0 109.969 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.5 t -73.33 151.04 41.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.0 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.039 0 O-C-N 124.525 1.141 . . . . 0.0 110.974 179.969 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.82 142.43 33.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.552 0.795 . . . . 0.0 109.982 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.8 m -139.87 -58.72 0.56 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.528 1.143 . . . . 0.0 110.013 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.36 141.29 3.21 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.462 1.101 . . . . 0.0 111.028 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -169.24 -58.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.548 0.793 . . . . 0.0 109.937 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -97.73 150.21 21.46 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.006 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.94 -120.11 0.5 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.538 1.149 . . . . 0.0 110.99 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 36.6 mtm -144.01 171.4 14.32 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 0.778 . . . . 0.0 111.003 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 96.5 p -178.5 92.73 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.944 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.8 75.12 0.95 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.508 1.13 . . . . 0.0 110.344 179.938 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.2 mt -122.26 -72.31 0.69 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.283 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 79.07 104.7 0.22 Allowed Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.54 1.15 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.1 p -71.56 -50.1 34.38 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 0.769 . . . . 0.0 110.01 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.543 ' O ' ' CH2' ' A' ' 113' ' ' TRP . 53.0 mtt85 -133.87 95.17 3.4 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.532 1.145 . . . . 0.0 110.294 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.558 ' HA3' ' CZ2' ' A' ' 113' ' ' TRP . . . 60.15 127.61 0.01 OUTLIER Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.51 1.131 . . . . 0.0 110.985 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.426 ' HG3' ' CD2' ' A' ' 30' ' ' PHE . 0.0 OUTLIER -106.35 133.18 51.44 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 0.761 . . . . 0.0 110.28 -179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.523 HD22 HD11 ' A' ' 111' ' ' LEU . 1.6 mt -75.91 161.35 29.04 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.113 . . . . 0.0 109.323 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 36.3 p-90 -166.47 172.91 10.37 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.495 1.122 . . . . 0.0 108.025 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.444 ' HG ' HD21 ' A' ' 31' ' ' LEU . 9.4 mt -118.84 144.36 46.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.516 1.135 . . . . 0.0 109.298 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.6 tt0 -115.78 105.28 12.53 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.156 . . . . 0.0 110.351 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 2.2 p -79.0 146.91 69.0 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.565 1.166 . . . . 0.0 110.024 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.49 ' O ' HG22 ' A' ' 23' ' ' THR . 18.4 Cg_endo -75.01 149.28 36.44 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.484 1.781 . . . . 0.0 110.982 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.642 HG23 ' N ' ' A' ' 24' ' ' GLY . 0.5 OUTLIER 72.7 -176.53 0.18 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.13 . . . . 0.0 110.417 -179.971 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.642 ' N ' HG23 ' A' ' 23' ' ' THR . . . -82.03 40.14 2.65 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.554 1.159 . . . . 0.0 110.963 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.96 -139.61 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.991 -0.844 . . . . 0.0 110.991 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.02 170.16 21.02 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.47 1.774 . . . . 0.0 110.946 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 173.43 14.53 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.447 1.762 . . . . 0.0 111.003 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 103.94 1.82 Allowed 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 110.987 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.4 mp -77.62 128.5 38.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.14 . . . . 0.0 109.29 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . 0.426 ' CD2' ' HG3' ' A' ' 16' ' ' ARG . 64.0 m-85 -94.4 112.54 24.33 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 110.981 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.867 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 0.7 OUTLIER -64.6 162.58 33.98 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.57 1.169 . . . . 0.0 109.288 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.869 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.1 Cg_endo -75.08 148.44 34.97 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.457 1.767 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 2.7 m -111.12 -5.41 14.76 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.439 1.087 . . . . 0.0 110.003 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -79.46 -10.37 59.79 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.5 1.125 . . . . 0.0 109.349 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 114.93 -18.53 16.45 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.114 . . . . 0.0 111.021 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 28.7 mt-30 -47.11 170.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 0.771 . . . . 0.0 110.313 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.783 ' HB1' ' HG3' ' A' ' 59' ' ' GLU . . . -125.02 128.76 49.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.495 1.122 . . . . 0.0 109.318 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.483 HD12 ' HA ' ' A' ' 38' ' ' LEU . 10.6 tp -92.24 99.11 11.96 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.291 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.608 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.6 t -70.8 111.87 5.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.452 1.095 . . . . 0.0 109.361 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 1.2 mp -92.83 174.51 7.21 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.439 1.087 . . . . 0.0 109.302 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.99 -158.75 27.73 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.508 1.13 . . . . 0.0 110.982 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.2 mtp180 -56.79 150.57 15.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.544 0.791 . . . . 0.0 110.293 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 125.19 -176.61 17.14 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.555 1.159 . . . . 0.0 110.989 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 0.4 8.96 Favored 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.483 1.781 . . . . 0.0 110.981 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.4 mp -59.84 -60.11 4.36 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.308 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.606 ' OG1' HG23 ' A' ' 48' ' ' VAL . 69.2 p -116.33 8.81 14.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.376 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 67.47 17.24 10.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.53 1.144 . . . . 0.0 110.331 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.606 HG23 ' OG1' ' A' ' 46' ' ' THR . 68.9 t -79.45 129.53 37.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.3 p -130.42 18.22 5.35 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.444 1.09 . . . . 0.0 110.41 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -83.24 131.47 35.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 109.291 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -62.05 -30.01 70.68 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.297 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 2.5 mtmt -60.37 -18.36 49.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.561 1.163 . . . . 0.0 109.291 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.577 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.2 OUTLIER -86.41 171.25 11.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.49 1.119 . . . . 0.0 108.313 179.998 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.423 ' O ' ' N ' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -145.41 136.33 24.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.52 1.138 . . . . 0.0 109.994 -179.957 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.406 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.1 OUTLIER -38.47 -31.79 0.06 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.472 1.108 . . . . 0.0 110.295 179.973 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.608 ' HA ' HG13 ' A' ' 39' ' ' VAL . 3.8 p30 -129.28 62.44 1.52 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.488 1.118 . . . . 0.0 109.26 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.509 ' HG3' HG13 ' A' ' 58' ' ' VAL . 41.1 tp60 -67.43 -44.42 78.77 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 1.137 . . . . 0.0 110.302 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.509 HG13 ' HG3' ' A' ' 57' ' ' GLN . 7.6 m -146.88 157.33 10.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.5 1.125 . . . . 0.0 109.275 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.838 ' HB2' HD11 ' A' ' 74' ' ' LEU . 23.7 tt0 -114.2 101.39 9.15 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.096 . . . . 0.0 110.254 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.507 HD21 ' CD2' ' A' ' 100' ' ' LEU . 0.4 OUTLIER -81.67 144.2 31.35 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.13 . . . . 0.0 109.275 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.614 HG12 ' HB2' ' A' ' 37' ' ' ALA . 93.0 mt -140.87 113.88 4.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.869 ' HB3' ' O ' ' A' ' 32' ' ' PRO . . . -74.65 126.21 30.34 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.119 . . . . 0.0 109.331 179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -124.79 86.02 56.52 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.484 1.115 . . . . 0.0 109.296 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 1.19 8.02 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.514 1.797 . . . . 0.0 110.977 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 52.9 mt-10 -76.15 -25.65 55.49 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.518 1.136 . . . . 0.0 110.277 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 3.8 m -144.58 17.72 1.66 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.503 1.127 . . . . 0.0 109.97 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.4 mtt180 51.33 57.17 6.9 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 110.268 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.6 p -138.29 176.41 8.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.398 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.497 HG11 HD23 ' A' ' 60' ' ' LEU . 66.9 t -146.7 136.85 17.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.266 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.425 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . . . -101.16 139.32 37.0 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.566 1.166 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.465 HG21 ' CD1' ' A' ' 94' ' ' LEU . 48.4 t -128.15 113.38 30.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.515 1.134 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.5 ttmm -112.3 116.72 30.84 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.494 1.121 . . . . 0.0 109.328 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.419 ' HG2' ' HA ' ' A' ' 88' ' ' PRO . 35.6 tt0 -71.37 119.1 15.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 110.309 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.838 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -122.43 10.43 9.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.323 179.981 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -100.75 -146.45 19.2 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.52 1.137 . . . . 0.0 111.04 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.3 p -120.0 -49.22 3.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.491 0.759 . . . . 0.0 109.304 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 30.5 m-80 -68.58 141.97 93.6 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.117 . . . . 0.0 109.275 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 128.83 11.85 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.463 1.77 . . . . 0.0 111.0 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.9 m -97.72 159.17 15.09 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 1.126 . . . . 0.0 110.019 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 99.9 m -115.99 117.75 31.01 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.115 . . . . 0.0 110.37 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.813 HG13 ' CD1' ' A' ' 94' ' ' LEU . 40.2 t -98.52 78.28 0.76 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.327 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 99.46 -94.71 1.42 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.528 1.143 . . . . 0.0 111.009 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.401 HG22 ' O ' ' A' ' 83' ' ' VAL . 9.3 p -132.08 17.94 1.68 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.494 0.761 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 16.6 tt0 -125.1 143.28 51.0 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.335 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -90.36 133.44 34.98 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.497 1.123 . . . . 0.0 110.305 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.428 HD11 HG21 ' A' ' 81' ' ' VAL . 11.0 mt -93.0 -172.8 3.09 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.447 ' HB2' HD22 ' A' ' 90' ' ' LEU . 0.2 OUTLIER -145.22 172.21 5.63 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.419 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.96 112.24 3.51 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.488 1.783 . . . . 0.0 110.978 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.17 4.15 58.65 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.528 1.142 . . . . 0.0 111.03 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.46 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.4 tp -86.78 179.64 6.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.762 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.93 132.76 8.52 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.465 1.103 . . . . 0.0 109.974 -179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -132.58 -172.07 12.93 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.495 1.122 . . . . 0.0 110.946 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 59.7 p -130.76 153.14 49.35 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.509 0.77 . . . . 0.0 110.019 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.813 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -125.03 128.45 48.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.534 1.146 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -96.85 151.15 19.95 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.106 . . . . 0.0 110.008 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.493 HD21 ' N ' ' A' ' 113' ' ' TRP . 2.5 mt -46.11 108.99 0.15 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.511 1.132 . . . . 0.0 109.298 -179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 115.49 -37.34 3.5 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.49 1.119 . . . . 0.0 110.977 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -49.41 151.49 1.52 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.53 0.782 . . . . 0.0 109.291 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.419 ' CG1' ' N ' ' A' ' 100' ' ' LEU . 41.0 t -101.13 160.59 3.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.52 1.138 . . . . 0.0 109.346 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.658 HD13 HG22 ' A' ' 81' ' ' VAL . 28.7 tp -140.93 84.44 1.93 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.465 1.103 . . . . 0.0 109.332 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.445 ' O ' ' C ' ' A' ' 102' ' ' LEU . 94.3 m-85 -61.71 99.11 0.11 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.482 1.113 . . . . 0.0 111.012 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.565 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -36.74 -58.87 0.72 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.282 179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.554 HG22 ' H ' ' A' ' 104' ' ' ASN . 11.4 p -160.56 172.17 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.498 1.124 . . . . 0.0 109.332 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.554 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.9 OUTLIER 40.04 44.37 1.46 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.517 1.135 . . . . 0.0 109.268 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 39.63 28.56 0.13 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.128 . . . . 0.0 111.002 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.449 HD23 ' HA ' ' A' ' 106' ' ' LEU . 13.0 mt -122.02 -172.06 2.37 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 0.747 . . . . 0.0 109.318 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.443 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 3.9 m-85 41.49 61.67 7.66 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.487 1.117 . . . . 0.0 110.972 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.443 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.3 Cg_endo -75.01 134.06 17.34 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.54 1.811 . . . . 0.0 111.011 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.565 ' CD2' HD12 ' A' ' 102' ' ' LEU . 4.1 mm? -111.64 95.05 5.27 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.131 . . . . 0.0 109.265 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 80.5 m -69.51 128.64 37.23 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.491 1.119 . . . . 0.0 110.366 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.583 HD12 ' H ' ' A' ' 112' ' ' ARG . 17.9 tp -75.78 138.63 41.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.535 1.147 . . . . 0.0 109.305 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.583 ' H ' HD12 ' A' ' 111' ' ' LEU . 24.6 mmt180 -141.33 150.43 42.47 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.558 ' CZ2' ' HA3' ' A' ' 15' ' ' GLY . 0.9 OUTLIER -119.49 140.17 50.91 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 107.975 -179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 8.1 t -92.53 129.75 38.38 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.0 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -143.23 -145.72 4.46 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.477 1.111 . . . . 0.0 110.985 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 92.4 0.99 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.518 1.799 . . . . 0.0 110.988 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 83.3 p -148.03 128.4 13.93 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.502 1.126 . . . . 0.0 109.973 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.7 t -175.23 126.34 0.26 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.487 1.117 . . . . 0.0 110.001 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.055 0 O-C-N 124.482 1.114 . . . . 0.0 110.993 -179.998 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.6 p -100.04 -58.39 1.92 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.519 0.776 . . . . 0.0 110.039 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 58.13 98.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 1.154 . . . . 0.0 110.036 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 175.08 -113.22 0.44 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.525 1.141 . . . . 0.0 111.014 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -141.32 110.75 6.37 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 0.774 . . . . 0.0 109.997 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 65.26 137.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.495 1.122 . . . . 0.0 110.011 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.79 61.5 0.16 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.466 1.104 . . . . 0.0 110.988 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -175.65 164.9 3.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 0.757 . . . . 0.0 111.002 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 61.1 p -131.54 153.63 49.64 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.46 1.1 . . . . 0.0 110.014 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -108.5 -16.85 14.12 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.423 1.077 . . . . 0.0 110.299 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 47.71 94.57 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.532 1.145 . . . . 0.0 109.308 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -138.34 134.59 6.95 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.516 1.135 . . . . 0.0 111.003 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 68.6 m -116.81 129.82 56.33 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.506 0.768 . . . . 0.0 110.013 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . 0.468 ' O ' ' CH2' ' A' ' 113' ' ' TRP . 0.2 OUTLIER -125.86 158.29 35.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 110.304 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 49.85 -173.27 0.08 OUTLIER Glycine 0 CA--C 1.529 0.961 0 O-C-N 124.417 1.073 . . . . 0.0 111.018 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -154.27 138.5 16.59 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.462 0.742 . . . . 0.0 110.257 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.492 HD22 HD11 ' A' ' 111' ' ' LEU . 1.1 mt -79.61 155.93 27.9 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.0 p-90 -166.88 153.94 8.94 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 108.009 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.821 ' CD2' HD21 ' A' ' 31' ' ' LEU . 0.6 OUTLIER -90.71 138.28 31.7 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 109.277 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 24.5 tt0 -102.56 102.8 13.09 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.541 1.15 . . . . 0.0 110.303 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -93.01 148.56 35.99 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.449 1.093 . . . . 0.0 109.982 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.07 170.93 19.31 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.497 1.788 . . . . 0.0 110.985 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 10.4 t -64.9 -10.48 29.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.473 1.108 . . . . 0.0 110.394 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . -98.02 27.03 21.02 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.529 1.143 . . . . 0.0 110.988 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -157.55 -163.64 12.85 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 173.72 14.02 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.535 1.808 . . . . 0.0 110.999 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 173.87 13.77 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.476 1.777 . . . . 0.0 111.02 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 119.11 5.51 Favored 'Trans proline' 0 C--N 1.359 1.104 0 O-C-N 124.508 1.793 . . . . 0.0 111.007 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 mp -94.75 140.23 17.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.482 1.114 . . . . 0.0 109.304 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.8 m-85 -105.16 119.23 38.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 110.991 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.876 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 0.3 OUTLIER -70.8 165.49 46.16 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.498 1.124 . . . . 0.0 109.327 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.739 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.3 Cg_endo -74.98 158.9 42.02 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.535 1.808 . . . . 0.0 110.998 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 83.1 p -103.46 -35.77 8.23 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 110.01 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -43.8 -31.99 0.95 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.491 1.12 . . . . 0.0 109.286 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.35 -3.08 8.28 Favored Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.526 1.141 . . . . 0.0 110.991 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -52.68 168.82 0.1 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 0.787 . . . . 0.0 110.261 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.801 ' HB1' ' HG3' ' A' ' 59' ' ' GLU . . . -119.55 122.73 42.28 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.48 1.112 . . . . 0.0 109.304 179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.412 HD12 ' HA ' ' A' ' 38' ' ' LEU . 12.9 tp -91.63 100.16 12.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.635 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.7 t -70.75 119.82 17.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.542 1.151 . . . . 0.0 109.313 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.407 HD12 HD13 ' A' ' 60' ' ' LEU . 16.7 mt -102.37 159.36 15.49 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 109.304 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 159.95 -157.14 28.41 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.494 1.121 . . . . 0.0 111.015 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.468 ' CZ ' ' HA ' ' A' ' 51' ' ' ARG . 11.7 mtm180 -56.0 138.48 48.96 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 0.787 . . . . 0.0 110.253 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.81 -174.69 21.49 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.499 1.124 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -0.25 9.72 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.507 1.793 . . . . 0.0 111.039 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -60.32 -61.48 2.56 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.546 1.154 . . . . 0.0 109.296 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.59 HG21 HD11 ' A' ' 102' ' ' LEU . 74.6 p -117.32 11.86 14.13 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.474 1.109 . . . . 0.0 110.437 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.0 mm-40 64.97 19.94 11.98 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.531 1.145 . . . . 0.0 110.323 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.474 HG11 ' SG ' ' A' ' 53' ' ' CYS . 23.0 t -77.85 122.9 33.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.531 1.144 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.41 ' O ' ' OG1' ' A' ' 49' ' ' THR . 1.6 t -128.55 28.86 5.37 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.395 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 63.3 t0 -99.08 121.73 41.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 109.26 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.468 ' HA ' ' CZ ' ' A' ' 42' ' ' ARG . 18.7 mtt180 -51.35 -29.31 14.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.282 179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.408 ' O ' ' CG ' ' A' ' 77' ' ' ASN . 4.4 mmmt -59.04 -17.1 22.47 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.3 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.474 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -95.76 166.6 11.74 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.505 1.128 . . . . 0.0 108.317 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -140.28 138.7 35.19 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.568 1.168 . . . . 0.0 110.005 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 15.2 mtm-85 -39.29 -34.18 0.18 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 1.151 . . . . 0.0 110.315 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.635 ' HA ' HG13 ' A' ' 39' ' ' VAL . 0.8 OUTLIER -123.45 58.92 1.12 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.5 1.125 . . . . 0.0 109.343 179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.509 ' HG3' HG13 ' A' ' 58' ' ' VAL . 32.6 tp60 -68.35 -50.22 54.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.315 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.509 HG13 ' HG3' ' A' ' 57' ' ' GLN . 4.0 m -140.67 162.34 23.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.551 1.157 . . . . 0.0 109.285 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.943 ' HB2' HD11 ' A' ' 74' ' ' LEU . 17.8 tt0 -121.47 116.39 24.63 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.486 1.116 . . . . 0.0 110.283 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.571 HD11 HD21 ' A' ' 100' ' ' LEU . 1.4 mp -99.68 141.16 32.85 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.495 1.122 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.551 HG12 ' HB2' ' A' ' 37' ' ' ALA . 88.4 mt -135.02 118.88 25.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.55 1.156 . . . . 0.0 109.328 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.876 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.69 115.35 14.17 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.465 1.103 . . . . 0.0 109.33 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 -116.94 87.12 21.18 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.558 1.161 . . . . 0.0 109.316 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -0.65 10.23 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.478 1.778 . . . . 0.0 111.029 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 2.6 pt-20 -71.82 -35.78 70.02 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.464 1.103 . . . . 0.0 110.335 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.677 ' O ' HG23 ' A' ' 68' ' ' THR . 6.1 m -136.07 26.67 3.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.495 1.122 . . . . 0.0 110.037 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.665 ' CD ' ' CZ3' ' A' ' 113' ' ' TRP . 24.3 mmt85 44.83 46.86 8.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 1.137 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.677 HG23 ' O ' ' A' ' 66' ' ' SER . 2.9 p -129.47 177.48 7.17 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 110.434 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.437 HG13 ' O ' ' A' ' 61' ' ' ILE . 62.0 t -147.67 129.04 5.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.494 1.121 . . . . 0.0 109.289 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -87.95 139.12 30.84 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.476 1.11 . . . . 0.0 109.281 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.585 HG21 ' CD1' ' A' ' 94' ' ' LEU . 66.0 t -122.77 134.95 64.42 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.407 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 2.2 ttpt -140.44 123.5 16.6 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.504 1.127 . . . . 0.0 109.289 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 38.2 tt0 -82.67 107.74 15.53 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.453 1.096 . . . . 0.0 110.276 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.943 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -100.2 -1.73 35.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.549 1.155 . . . . 0.0 109.274 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.18 -146.32 19.31 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.545 1.153 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -120.6 -52.55 3.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.497 0.763 . . . . 0.0 109.297 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.408 ' CG ' ' O ' ' A' ' 52' ' ' LYS . 1.9 m120 -57.6 137.56 82.22 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.549 1.156 . . . . 0.0 109.306 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 129.06 12.03 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.498 1.788 . . . . 0.0 111.03 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 8.6 m -101.34 159.41 15.29 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.985 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 86.1 m -115.56 117.9 31.64 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.478 1.111 . . . . 0.0 110.385 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.844 HG13 HD12 ' A' ' 94' ' ' LEU . 24.4 t -99.24 89.15 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.547 1.154 . . . . 0.0 109.29 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.96 -96.47 2.22 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.497 1.123 . . . . 0.0 111.0 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.412 ' O ' HG22 ' A' ' 83' ' ' VAL . 10.3 p -130.41 17.28 2.16 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.514 0.773 . . . . 0.0 109.273 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -125.2 140.83 52.51 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 110.326 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -88.67 142.32 27.78 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.294 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.9 mt -104.39 -172.28 2.08 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.484 1.115 . . . . 0.0 109.33 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -143.68 170.22 8.92 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.264 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 97.5 1.08 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.52 1.8 . . . . 0.0 111.043 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 114.93 1.94 22.38 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 111.009 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.1 tp -86.83 -177.98 6.22 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.454 0.738 . . . . 0.0 109.286 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.414 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -158.28 132.4 7.98 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 109.998 -179.991 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -129.15 -168.12 12.29 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.459 1.1 . . . . 0.0 111.009 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -135.81 144.16 45.57 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.48 0.753 . . . . 0.0 109.958 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.844 HD12 HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -116.66 135.37 53.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 109.301 179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.0 m -104.43 161.13 14.35 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.506 1.129 . . . . 0.0 110.007 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.587 HD21 ' C ' ' A' ' 112' ' ' ARG . 3.9 mt -54.91 107.58 0.31 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.295 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 114.08 -32.95 5.69 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.469 1.106 . . . . 0.0 110.984 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -53.23 148.33 8.69 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.522 0.778 . . . . 0.0 109.309 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.491 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 47.5 t -97.21 164.06 2.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.469 1.106 . . . . 0.0 109.276 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.745 HD13 HG22 ' A' ' 81' ' ' VAL . 34.7 tp -143.47 84.36 1.8 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.418 ' O ' ' C ' ' A' ' 102' ' ' LEU . 95.8 m-85 -60.32 100.16 0.09 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.525 1.141 . . . . 0.0 111.022 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.59 HD11 HG21 ' A' ' 46' ' ' THR . 0.0 OUTLIER -38.19 -57.75 1.05 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 109.306 -179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.552 HG22 ' H ' ' A' ' 104' ' ' ASN . 11.8 p -162.57 172.21 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.552 ' H ' HG22 ' A' ' 103' ' ' VAL . 1.2 m120 40.24 45.76 1.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.314 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 37.47 30.12 0.05 OUTLIER Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.529 1.143 . . . . 0.0 110.998 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.461 ' N ' ' O ' ' A' ' 104' ' ' ASN . 12.0 mt -123.57 -171.62 2.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.492 0.76 . . . . 0.0 109.293 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.467 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 4.2 m-85 41.37 60.45 8.32 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.533 1.146 . . . . 0.0 110.994 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.491 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.4 Cg_endo -75.01 140.03 24.95 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.517 1.799 . . . . 0.0 111.043 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.535 ' CD2' HD12 ' A' ' 102' ' ' LEU . 4.0 mm? -117.81 115.64 25.38 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.481 1.113 . . . . 0.0 109.271 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 97.6 m -82.48 129.99 35.02 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.54 1.15 . . . . 0.0 110.367 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.492 HD11 HD22 ' A' ' 17' ' ' LEU . 21.2 tp -87.39 130.15 34.77 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.534 1.146 . . . . 0.0 109.331 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.587 ' C ' HD21 ' A' ' 96' ' ' LEU . 20.3 mmt180 -131.93 178.88 6.43 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 110.293 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.665 ' CZ3' ' CD ' ' A' ' 67' ' ' ARG . 7.0 t-105 -135.18 144.94 47.27 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.155 . . . . 0.0 108.024 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.5 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 14.7 t -89.08 135.81 33.36 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.481 1.113 . . . . 0.0 110.0 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -116.56 -141.59 7.15 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.508 1.13 . . . . 0.0 111.025 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 74.58 3.94 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.529 1.805 . . . . 0.0 111.005 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.4 t -155.5 100.53 2.12 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.006 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 32.9 m -138.96 -56.91 0.61 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 110.011 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 O-C-N 124.549 1.156 . . . . 0.0 110.978 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 67.2 m 54.61 82.26 0.09 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 0.766 . . . . 0.0 109.985 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -160.12 113.93 2.19 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.958 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -40.27 130.06 2.85 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.516 1.135 . . . . 0.0 111.023 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.1 t -158.53 -58.04 0.07 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 110.024 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 m -81.15 151.49 28.22 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.142 . . . . 0.0 110.0 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.45 -92.42 0.01 OUTLIER Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.522 1.138 . . . . 0.0 111.008 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER 62.09 113.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.505 0.768 . . . . 0.0 111.012 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.9 m -96.76 169.35 9.93 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 2.3 pt20 -86.42 51.37 2.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.524 1.14 . . . . 0.0 110.322 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -45.01 132.3 6.96 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.155 . . . . 0.0 109.309 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -117.81 -88.47 1.29 Allowed Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.518 1.136 . . . . 0.0 110.973 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.9 p -176.41 -43.32 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 0.758 . . . . 0.0 109.98 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER 53.77 171.11 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.265 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.508 ' HA3' ' CZ2' ' A' ' 113' ' ' TRP . . . -172.68 -153.94 9.85 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.486 1.116 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.57 142.07 23.46 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 0.753 . . . . 0.0 110.318 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.586 HD22 HD11 ' A' ' 111' ' ' LEU . 16.5 mt -82.85 148.5 27.7 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 109.329 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.547 ' HE1' ' N ' ' A' ' 114' ' ' SER . 64.1 p-90 -166.96 163.27 16.02 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.491 1.119 . . . . 0.0 107.99 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.1 mt -109.23 136.02 49.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 109.312 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 6.6 tt0 -97.83 95.71 7.72 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.322 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.93 148.49 98.42 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.1 . . . . 0.0 109.98 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.4 ' O ' ' O ' ' A' ' 23' ' ' THR . 18.4 Cg_endo -74.93 158.25 42.56 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.458 1.767 . . . . 0.0 110.98 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.4 ' O ' ' O ' ' A' ' 22' ' ' PRO . 5.0 t -40.9 161.84 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 110.413 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 50.51 37.58 33.34 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.505 1.128 . . . . 0.0 111.027 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -134.14 -170.12 12.21 Favored Glycine 0 CA--C 1.53 1.018 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 173.73 14.01 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.504 1.791 . . . . 0.0 110.996 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 173.79 13.9 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.526 1.803 . . . . 0.0 110.966 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 110.95 3.21 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.516 1.798 . . . . 0.0 111.009 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 mp -83.58 144.9 9.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.539 1.149 . . . . 0.0 109.275 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -105.3 119.69 39.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 111.003 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.846 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 2.0 mt -69.89 153.89 95.12 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.53 1.144 . . . . 0.0 109.297 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 124.65 8.76 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.522 1.801 . . . . 0.0 111.006 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.401 ' C ' ' N ' ' A' ' 35' ' ' GLY . 2.2 m -78.4 -30.31 47.73 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.496 1.123 . . . . 0.0 109.945 -179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 38.4 m-20 -45.94 -26.47 0.71 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.475 1.11 . . . . 0.0 109.335 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.401 ' N ' ' C ' ' A' ' 33' ' ' SER . . . 117.14 -7.46 16.63 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.529 1.143 . . . . 0.0 110.964 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -54.18 175.06 0.05 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 0.745 . . . . 0.0 110.277 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.742 ' HB1' ' CG ' ' A' ' 59' ' ' GLU . . . -122.9 125.85 46.15 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.456 1.097 . . . . 0.0 109.327 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 38' ' ' LEU . 9.9 tp -94.96 104.16 16.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.705 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.9 t -71.11 123.3 24.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.466 HD12 HD13 ' A' ' 60' ' ' LEU . 13.6 mt -102.62 170.99 7.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.275 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.96 -157.25 27.26 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.447 1.092 . . . . 0.0 111.034 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 12.6 mtm180 -58.64 139.03 56.58 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.455 0.738 . . . . 0.0 110.275 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 138.22 -175.11 21.59 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.478 1.111 . . . . 0.0 111.028 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 0.36 8.99 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.494 1.786 . . . . 0.0 111.02 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.4 mp -60.4 -61.63 2.46 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.556 1.16 . . . . 0.0 109.319 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.605 HG21 HD11 ' A' ' 102' ' ' LEU . 47.4 p -114.97 8.12 15.76 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.434 1.084 . . . . 0.0 110.392 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.2 mm-40 65.74 23.6 11.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.115 . . . . 0.0 110.292 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.518 HG11 ' SG ' ' A' ' 53' ' ' CYS . 47.6 t -84.05 129.13 38.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.333 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 16.2 p -127.2 33.22 4.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.406 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 13.8 t0 -93.05 128.02 38.8 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 109.357 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 49.8 mtp180 -59.14 -33.68 71.17 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 110.347 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.44 ' O ' ' ND2' ' A' ' 77' ' ' ASN . 8.8 mttt -62.42 -21.02 65.07 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.541 1.151 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.518 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -80.87 143.65 32.58 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.524 1.14 . . . . 0.0 108.334 179.935 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -117.06 132.23 56.74 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.515 1.134 . . . . 0.0 110.045 179.962 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.5 OUTLIER -37.48 -36.76 0.17 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.277 -179.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.705 ' HA ' HG13 ' A' ' 39' ' ' VAL . 1.7 m120 -121.57 57.28 1.03 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.449 1.093 . . . . 0.0 109.349 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.409 ' HG3' HG13 ' A' ' 58' ' ' VAL . 35.0 tp60 -60.5 -53.56 56.0 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.263 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.577 HG12 ' HA ' ' A' ' 73' ' ' GLN . 2.7 m -140.14 162.31 24.94 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.515 1.134 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.972 ' HB2' HD11 ' A' ' 74' ' ' LEU . 3.4 tt0 -114.22 108.09 16.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.311 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.487 HD11 HD21 ' A' ' 100' ' ' LEU . 1.8 mp -88.65 142.26 27.83 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.547 1.154 . . . . 0.0 109.301 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.618 HG12 ' HB2' ' A' ' 37' ' ' ALA . 88.2 mt -140.07 118.88 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 109.268 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.846 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -75.04 128.49 35.67 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.526 1.141 . . . . 0.0 109.346 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -121.85 87.73 46.87 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 109.29 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 0.96 8.24 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.431 1.753 . . . . 0.0 111.054 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 65' ' ' GLU . 2.7 tp10 -78.06 -30.29 49.69 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.551 1.157 . . . . 0.0 110.292 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.62 ' O ' HG23 ' A' ' 68' ' ' THR . 0.4 OUTLIER -145.65 26.31 1.28 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.544 1.152 . . . . 0.0 110.012 179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.68 ' HB3' HD12 ' A' ' 96' ' ' LEU . 0.0 OUTLIER 46.98 38.31 6.09 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 110.296 -179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.62 HG23 ' O ' ' A' ' 66' ' ' SER . 2.2 p -115.65 174.9 5.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.495 1.122 . . . . 0.0 110.421 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.618 HG13 ' O ' ' A' ' 61' ' ' ILE . 99.2 t -151.51 140.31 14.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.336 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -102.1 139.99 36.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.495 1.122 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.557 HG11 HD11 ' A' ' 100' ' ' LEU . 70.1 t -124.76 111.47 28.24 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.475 1.11 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.411 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 3.2 tttt -112.27 120.08 40.53 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.442 1.089 . . . . 0.0 109.295 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.577 ' HA ' HG12 ' A' ' 58' ' ' VAL . 38.0 tt0 -78.62 118.95 21.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.502 1.126 . . . . 0.0 110.285 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.972 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -118.1 3.37 12.07 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 109.331 179.981 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -92.24 -141.1 9.93 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.533 1.145 . . . . 0.0 111.012 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -123.31 -52.59 2.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.51 0.771 . . . . 0.0 109.323 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.44 ' ND2' ' O ' ' A' ' 52' ' ' LYS . 68.4 m-80 -64.75 139.41 97.76 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.452 ' HA ' ' OE1' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.95 129.34 12.3 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.496 1.787 . . . . 0.0 111.015 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.433 ' O ' ' N ' ' A' ' 86' ' ' LEU . 6.4 m -95.48 159.21 15.11 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 1.117 . . . . 0.0 110.02 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 27.5 m -117.36 113.72 22.52 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.433 1.083 . . . . 0.0 110.433 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.759 HG13 HD12 ' A' ' 94' ' ' LEU . 24.3 t -94.62 81.14 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 98.52 -94.74 1.51 Allowed Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.559 1.162 . . . . 0.0 110.961 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.1 p -133.34 16.28 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.525 0.779 . . . . 0.0 109.282 -179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 11.8 tt0 -125.18 137.62 54.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 110.237 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -82.56 147.26 28.73 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.433 ' N ' ' O ' ' A' ' 79' ' ' SER . 12.5 mt -106.37 -172.91 2.17 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.457 1.098 . . . . 0.0 109.299 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.51 ' HB2' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -142.13 171.21 7.59 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.452 1.095 . . . . 0.0 109.331 -179.965 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 112.57 3.59 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.515 1.797 . . . . 0.0 111.001 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.01 0.99 59.83 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.479 1.112 . . . . 0.0 111.001 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.51 HD22 ' HB2' ' A' ' 87' ' ' LYS . 4.9 tp -82.58 -179.14 7.33 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.473 0.749 . . . . 0.0 109.304 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.38 134.39 8.13 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.542 1.151 . . . . 0.0 110.012 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.72 -167.8 11.96 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.446 1.091 . . . . 0.0 111.026 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 78.8 p -133.35 148.48 51.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.466 0.745 . . . . 0.0 109.973 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.759 HD12 HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -122.87 129.86 52.15 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.516 1.135 . . . . 0.0 109.293 179.999 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.2 m -97.49 154.49 17.46 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.48 1.112 . . . . 0.0 109.998 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.68 HD12 ' HB3' ' A' ' 67' ' ' ARG . 4.9 mt -52.56 100.42 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.284 -179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 125.28 -26.82 5.44 Favored Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.569 1.168 . . . . 0.0 111.017 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 37.6 m-20 -60.96 150.57 32.97 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.481 0.754 . . . . 0.0 109.332 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.515 HG12 ' N ' ' A' ' 100' ' ' LEU . 94.1 t -96.36 166.26 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 109.311 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.649 HD13 HG22 ' A' ' 81' ' ' VAL . 44.5 tp -144.86 86.82 1.81 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 102' ' ' LEU . 91.3 m-85 -63.77 100.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.543 1.152 . . . . 0.0 111.02 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.684 HD12 ' CD1' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -35.65 -58.42 0.61 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 1.134 . . . . 0.0 109.327 -179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.543 HG22 ' H ' ' A' ' 104' ' ' ASN . 12.3 p -166.13 171.98 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.5 1.125 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.543 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.5 OUTLIER 41.9 43.02 2.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.524 1.14 . . . . 0.0 109.327 179.986 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 40.71 26.38 0.14 Allowed Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.528 1.142 . . . . 0.0 110.964 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 104' ' ' ASN . 28.4 mt -121.88 -170.99 2.15 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.483 0.755 . . . . 0.0 109.334 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.46 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 7.1 m-85 38.4 60.77 4.9 Favored Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.532 1.145 . . . . 0.0 110.991 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.46 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.2 Cg_endo -74.98 172.34 16.54 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.496 1.787 . . . . 0.0 111.001 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.684 ' CD1' HD12 ' A' ' 102' ' ' LEU . 1.3 mp -153.62 133.93 13.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.318 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 99.2 m -96.54 130.59 43.68 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.4 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.586 HD11 HD22 ' A' ' 17' ' ' LEU . 20.1 tp -87.29 121.28 29.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.471 1.107 . . . . 0.0 109.247 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 17.5 mmt180 -129.06 164.42 23.3 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.539 1.149 . . . . 0.0 110.31 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.508 ' CZ2' ' HA3' ' A' ' 15' ' ' GLY . 0.0 OUTLIER -135.46 133.79 38.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 108.027 179.989 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.547 ' N ' ' HE1' ' A' ' 18' ' ' TRP . 7.9 t -77.12 134.4 38.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.543 1.152 . . . . 0.0 109.961 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -166.81 -153.78 8.05 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.515 1.134 . . . . 0.0 111.028 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 77.42 3.13 Favored 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.456 1.766 . . . . 0.0 111.036 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 4.1 m -127.65 159.99 33.01 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.493 1.12 . . . . 0.0 109.969 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 51.9 m 63.82 170.96 0.17 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.035 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.978 0 O-C-N 124.486 1.116 . . . . 0.0 110.98 -179.986 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.99 0 N-CA-C 111.033 -0.827 . . . . 0.0 111.033 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -164.74 139.99 5.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 0.778 . . . . 0.0 110.006 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -169.4 152.82 4.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.44 1.087 . . . . 0.0 110.004 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 172.81 -107.98 0.26 Allowed Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.467 1.104 . . . . 0.0 111.001 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.4 p -125.89 153.37 44.28 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.469 0.747 . . . . 0.0 110.034 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t -163.88 103.39 0.9 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.54 1.15 . . . . 0.0 110.015 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.21 -150.4 8.38 Favored Glycine 0 CA--C 1.531 1.035 0 O-C-N 124.485 1.115 . . . . 0.0 110.989 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.5 mtm -137.86 -56.24 0.67 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.543 0.79 . . . . 0.0 111.014 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.16 153.55 33.64 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.554 1.159 . . . . 0.0 110.005 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.613 ' O ' HD23 ' A' ' 11' ' ' LEU . 6.9 tt0 -126.05 98.4 5.48 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 110.272 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.613 HD23 ' O ' ' A' ' 10' ' ' GLN . 22.2 mt -149.23 -61.99 0.22 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.529 1.143 . . . . 0.0 109.284 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 41.8 86.83 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.52 1.138 . . . . 0.0 111.0 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 8.1 m -53.65 170.75 0.1 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 0.744 . . . . 0.0 110.002 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -110.44 8.38 23.13 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.493 1.121 . . . . 0.0 110.281 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.517 ' HA3' ' CE2' ' A' ' 113' ' ' TRP . . . -179.51 -170.86 41.86 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.525 1.141 . . . . 0.0 110.99 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -139.87 141.64 36.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 0.806 . . . . 0.0 110.273 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.598 HD22 HD11 ' A' ' 111' ' ' LEU . 9.2 mt -85.67 151.87 23.53 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.114 . . . . 0.0 109.307 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.456 ' HE1' ' N ' ' A' ' 114' ' ' SER . 40.7 p-90 -166.82 159.84 14.04 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 108.033 -179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.517 ' HG ' HD21 ' A' ' 31' ' ' LEU . 12.1 mt -106.88 126.81 52.79 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.3 tt0 -95.28 99.04 11.05 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.485 1.116 . . . . 0.0 110.328 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.78 148.27 98.51 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.5 1.125 . . . . 0.0 109.982 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 159.98 40.79 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.458 1.768 . . . . 0.0 110.991 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 9.3 t -40.07 159.93 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 110.426 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 53.45 41.49 63.64 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 111.006 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -143.09 -171.85 13.75 Favored Glycine 0 CA--C 1.529 0.951 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.436 ' CD ' ' HG3' ' A' ' 47' ' ' GLN . 18.4 Cg_endo -74.93 173.94 13.62 Favored 'Trans proline' 0 C--N 1.361 1.194 0 O-C-N 124.496 1.787 . . . . 0.0 111.008 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.04 173.86 13.78 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.474 1.776 . . . . 0.0 111.011 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 112.92 3.67 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.465 1.771 . . . . 0.0 111.001 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 mp -85.83 143.69 11.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.49 1.119 . . . . 0.0 109.282 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -106.55 106.06 16.39 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.492 1.12 . . . . 0.0 110.962 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.894 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 1.1 mt -55.72 161.48 3.24 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.115 . . . . 0.0 109.323 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.749 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.2 Cg_endo -74.99 156.68 43.06 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.463 1.77 . . . . 0.0 110.969 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.414 ' C ' ' N ' ' A' ' 35' ' ' GLY . 89.2 p -104.92 -34.59 7.98 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.45 1.094 . . . . 0.0 110.029 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -43.61 -28.5 0.4 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.48 1.113 . . . . 0.0 109.334 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.414 ' N ' ' C ' ' A' ' 33' ' ' SER . . . 120.16 -1.99 12.98 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.54 1.15 . . . . 0.0 110.994 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -55.71 175.6 0.08 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.511 0.771 . . . . 0.0 110.291 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.675 ' HB1' ' CG ' ' A' ' 59' ' ' GLU . . . -124.86 125.82 44.58 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.475 HD12 ' HA ' ' A' ' 38' ' ' LEU . 8.9 tp -94.27 104.71 16.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.681 HG23 ' OE1' ' A' ' 59' ' ' GLU . 2.0 t -73.51 122.57 26.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.464 1.102 . . . . 0.0 109.279 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.511 HD12 HD13 ' A' ' 60' ' ' LEU . 14.2 mt -103.65 170.41 7.95 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.528 1.143 . . . . 0.0 109.307 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.457 ' HA2' HD21 ' A' ' 102' ' ' LEU . . . 148.68 -143.62 11.21 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.542 1.151 . . . . 0.0 110.996 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.1 mtp180 -71.37 139.63 49.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.46 0.741 . . . . 0.0 110.272 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 136.63 -175.89 20.73 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.51 1.131 . . . . 0.0 111.005 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 0.32 9.05 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.476 1.777 . . . . 0.0 111.061 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.5 mp -60.98 -60.32 3.98 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.486 1.116 . . . . 0.0 109.317 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.527 HG21 HD11 ' A' ' 102' ' ' LEU . 52.0 p -116.33 10.39 14.73 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 110.411 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.436 ' HG3' ' CD ' ' A' ' 26' ' ' PRO . 4.1 mm-40 65.6 21.88 11.71 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.256 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.7 t -86.56 126.94 40.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.486 1.117 . . . . 0.0 109.274 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 27.8 p -126.71 17.07 7.47 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.53 1.144 . . . . 0.0 110.422 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 22.7 t0 -75.17 134.59 41.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.544 1.153 . . . . 0.0 109.312 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 5.0 mtp-105 -64.24 -40.71 96.57 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.136 . . . . 0.0 110.29 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -52.23 -31.21 31.14 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.28 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.513 ' SG ' HD23 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -71.51 175.5 5.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.515 1.135 . . . . 0.0 108.291 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 57' ' ' GLN . 0.2 OUTLIER -153.13 132.95 13.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.511 1.132 . . . . 0.0 110.001 -179.995 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.401 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -38.66 -34.75 0.15 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.497 1.123 . . . . 0.0 110.295 179.992 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.584 ' HA ' HG13 ' A' ' 39' ' ' VAL . 4.3 m-80 -118.97 54.19 0.97 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.523 1.139 . . . . 0.0 109.351 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.502 ' HG3' HG13 ' A' ' 58' ' ' VAL . 42.7 tp60 -64.39 -51.79 61.48 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.626 HG12 ' HA ' ' A' ' 73' ' ' GLN . 5.1 m -141.51 169.08 14.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.874 ' HB2' HD11 ' A' ' 74' ' ' LEU . 2.0 tt0 -122.57 110.56 15.71 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 110.286 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.52 HD11 HD21 ' A' ' 100' ' ' LEU . 0.6 OUTLIER -93.06 143.18 26.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.475 1.109 . . . . 0.0 109.335 179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.577 HG12 ' HB2' ' A' ' 37' ' ' ALA . 96.5 mt -140.23 119.03 11.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.11 . . . . 0.0 109.276 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.894 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.42 122.57 23.2 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.317 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 2.2 t70 -119.3 88.38 37.66 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.506 1.129 . . . . 0.0 109.269 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 1.02 8.2 Favored 'Trans proline' 0 C--N 1.359 1.131 0 O-C-N 124.498 1.788 . . . . 0.0 110.995 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -69.16 -39.46 78.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.457 1.098 . . . . 0.0 110.311 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 37.7 m -141.33 26.31 1.99 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.509 1.131 . . . . 0.0 110.029 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.643 ' HB3' HD12 ' A' ' 96' ' ' LEU . 1.8 mpp_? 52.22 46.59 26.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.285 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.475 ' C ' HG23 ' A' ' 69' ' ' VAL . 1.5 p -120.73 176.02 5.73 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.501 1.126 . . . . 0.0 110.417 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.475 HG23 ' C ' ' A' ' 68' ' ' THR . 87.2 t -156.14 126.43 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.14 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.71 144.78 25.7 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.595 HG11 HD11 ' A' ' 100' ' ' LEU . 94.8 t -130.32 111.17 20.36 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.479 1.112 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.412 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 9.0 ttmm -110.94 121.44 45.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.49 1.119 . . . . 0.0 109.26 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.626 ' HA ' HG12 ' A' ' 58' ' ' VAL . 30.4 tt0 -76.84 121.27 23.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.526 1.141 . . . . 0.0 110.283 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.874 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -118.14 -1.96 11.29 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.126 . . . . 0.0 109.28 179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -87.72 -137.7 5.57 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.517 1.136 . . . . 0.0 111.007 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -126.21 -53.58 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.334 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.465 ' CB ' HG23 ' A' ' 103' ' ' VAL . 68.6 m-80 -63.74 139.28 97.6 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.488 1.118 . . . . 0.0 109.36 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.44 ' HA ' ' OE1' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.95 124.97 9.05 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.491 1.785 . . . . 0.0 111.028 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.62 159.17 18.66 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.533 1.146 . . . . 0.0 109.965 -179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 88.9 m -116.46 107.27 14.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.12 . . . . 0.0 110.382 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.772 HG13 ' CD1' ' A' ' 94' ' ' LEU . 46.0 t -90.92 85.38 2.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.69 -96.32 2.07 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.452 1.095 . . . . 0.0 110.97 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.1 p -132.91 18.6 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.442 0.73 . . . . 0.0 109.328 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 14.0 tt0 -125.06 138.77 54.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.527 1.142 . . . . 0.0 110.323 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -85.32 136.17 33.6 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.512 1.132 . . . . 0.0 110.256 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.42 HD11 HG21 ' A' ' 81' ' ' VAL . 11.4 mt -95.17 -172.31 2.64 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 109.329 179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.456 ' HB2' HD22 ' A' ' 90' ' ' LEU . 1.1 mtpt -145.18 172.62 5.13 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.326 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 113.95 3.91 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.513 1.796 . . . . 0.0 111.034 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.65 3.65 62.49 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 111.019 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.456 HD22 ' HB2' ' A' ' 87' ' ' LYS . 5.5 tp -85.19 178.67 7.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 0.75 . . . . 0.0 109.327 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.89 133.07 6.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 110.005 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -132.82 -168.82 12.07 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.481 1.113 . . . . 0.0 111.014 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.7 p -128.15 150.37 50.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.454 0.737 . . . . 0.0 110.014 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.772 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -124.29 119.48 29.43 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 -179.957 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.0 m -86.98 152.2 22.6 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.474 1.109 . . . . 0.0 109.944 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.643 HD12 ' HB3' ' A' ' 67' ' ' ARG . 3.9 mt -50.53 103.55 0.06 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.536 1.147 . . . . 0.0 109.273 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 123.69 -32.36 4.28 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.514 1.134 . . . . 0.0 110.981 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.4 154.41 4.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.434 0.726 . . . . 0.0 109.283 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.482 HG12 ' N ' ' A' ' 100' ' ' LEU . 67.5 t -100.89 164.37 2.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.595 HD11 HG11 ' A' ' 71' ' ' VAL . 60.7 tp -143.3 86.94 1.92 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.447 ' O ' ' C ' ' A' ' 102' ' ' LEU . 87.7 m-85 -64.7 99.74 0.34 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 110.986 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.643 HD12 ' CD1' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -35.65 -58.14 0.62 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.993 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.556 HG22 ' H ' ' A' ' 104' ' ' ASN . 11.9 p -166.11 172.39 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.548 1.155 . . . . 0.0 109.296 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.556 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.9 OUTLIER 40.11 46.09 1.79 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 109.311 -179.963 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 37.84 28.87 0.04 OUTLIER Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.486 1.116 . . . . 0.0 111.006 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.464 ' N ' ' O ' ' A' ' 104' ' ' ASN . 12.1 mt -123.78 -171.03 2.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.541 0.789 . . . . 0.0 109.276 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.464 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 7.8 m-85 37.9 60.5 4.5 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.122 . . . . 0.0 110.983 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.464 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.3 Cg_endo -74.96 174.05 13.44 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.541 1.811 . . . . 0.0 111.039 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.643 ' CD1' HD12 ' A' ' 102' ' ' LEU . 1.6 mp -153.76 135.5 14.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.508 1.13 . . . . 0.0 109.271 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 17.3 m -98.78 126.35 44.38 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.52 1.138 . . . . 0.0 110.393 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.598 HD11 HD22 ' A' ' 17' ' ' LEU . 26.6 tp -81.8 114.5 20.48 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.434 1.084 . . . . 0.0 109.35 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 33.5 mmt180 -118.27 164.98 14.39 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.472 1.108 . . . . 0.0 110.332 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.527 ' C ' ' CD1' ' A' ' 113' ' ' TRP . 0.0 OUTLIER -137.17 135.49 37.37 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.463 1.102 . . . . 0.0 108.034 179.954 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.456 ' N ' ' HE1' ' A' ' 18' ' ' TRP . 5.3 t -79.77 134.38 36.36 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.981 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -156.24 164.21 32.31 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.514 1.133 . . . . 0.0 110.983 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 119.55 5.69 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.467 1.772 . . . . 0.0 111.007 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -179.87 91.74 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.001 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 17.3 t -141.59 -57.01 0.48 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.465 1.103 . . . . 0.0 109.994 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.065 0 O-C-N 124.508 1.13 . . . . 0.0 110.957 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -178.48 156.29 0.92 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.504 0.767 . . . . 0.0 109.953 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -106.93 -58.32 1.95 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.543 1.152 . . . . 0.0 110.013 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.56 -138.94 14.81 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.49 1.119 . . . . 0.0 111.027 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.7 p -54.24 114.47 1.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.481 0.753 . . . . 0.0 110.027 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.8 t -46.6 110.13 0.25 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.541 1.15 . . . . 0.0 110.018 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 61.52 141.4 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 111.001 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -110.41 -55.88 2.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 0.768 . . . . 0.0 110.993 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.6 t -61.37 147.39 44.99 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.519 1.137 . . . . 0.0 109.971 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -167.2 91.14 0.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.484 1.115 . . . . 0.0 110.288 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 82.7 mt -91.97 -54.45 3.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.485 1.116 . . . . 0.0 109.296 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -166.79 -156.43 9.65 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.517 1.136 . . . . 0.0 111.04 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -164.82 158.4 17.38 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 0.778 . . . . 0.0 110.027 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER 60.26 164.0 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 1.145 . . . . 0.0 110.298 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.504 ' HA3' ' CE2' ' A' ' 113' ' ' TRP . . . -60.97 178.2 3.66 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.519 1.137 . . . . 0.0 110.952 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 9.3 mmt180 -134.34 128.61 34.05 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 0.762 . . . . 0.0 110.293 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.439 HD22 HD11 ' A' ' 111' ' ' LEU . 6.9 mt -81.06 142.38 33.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.522 1.139 . . . . 0.0 109.326 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.462 ' C ' HD13 ' A' ' 19' ' ' LEU . 62.1 p-90 -165.2 150.57 9.42 Favored 'General case' 0 C--N 1.325 -0.473 0 N-CA-C 107.984 -1.117 . . . . 0.0 107.984 -179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.561 ' N ' HD13 ' A' ' 19' ' ' LEU . 0.2 OUTLIER -93.16 148.63 21.86 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.449 1.093 . . . . 0.0 109.276 179.978 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 34.1 tt0 -111.86 96.88 6.32 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.551 1.157 . . . . 0.0 110.268 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.7 p -67.27 145.68 98.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.522 1.139 . . . . 0.0 109.952 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 144.37 30.12 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.489 1.784 . . . . 0.0 111.026 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.646 HG23 ' N ' ' A' ' 24' ' ' GLY . 0.5 OUTLIER 74.39 -179.38 0.19 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 110.383 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.646 ' N ' HG23 ' A' ' 23' ' ' THR . . . -80.96 41.28 2.58 Favored Glycine 0 CA--C 1.531 1.053 0 O-C-N 124.495 1.122 . . . . 0.0 110.986 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.87 -138.58 0.02 OUTLIER Glycine 0 CA--C 1.53 1.009 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 172.12 16.99 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.47 1.774 . . . . 0.0 110.966 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 173.82 13.85 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.436 1.756 . . . . 0.0 110.948 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 111.9 3.44 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.549 1.815 . . . . 0.0 111.009 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.513 HD11 ' O ' ' A' ' 45' ' ' LEU . 3.1 mp -79.93 112.38 17.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.303 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -86.56 108.84 18.75 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.475 1.11 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.949 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 1.6 mt -62.37 162.06 21.8 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.117 . . . . 0.0 109.292 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.758 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.4 Cg_endo -75.02 148.61 35.45 Favored 'Trans proline' 0 C--N 1.361 1.208 0 O-C-N 124.491 1.785 . . . . 0.0 110.989 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 22.9 t -98.79 -21.56 16.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 110.032 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 46.6 m-20 -56.11 -32.71 64.44 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 1.083 . . . . 0.0 109.277 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 130.37 -8.07 5.94 Favored Glycine 0 CA--C 1.531 1.037 0 O-C-N 124.499 1.124 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 12.5 mt-30 -48.45 176.87 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.528 0.781 . . . . 0.0 110.304 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.807 ' HB1' ' HG3' ' A' ' 59' ' ' GLU . . . -129.39 120.18 25.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.536 1.147 . . . . 0.0 109.261 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 9.9 tp -91.78 104.65 17.07 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.128 . . . . 0.0 109.275 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.623 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.8 t -75.21 121.92 27.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -96.36 175.41 6.43 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 109.305 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 144.44 -151.06 23.17 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.475 1.109 . . . . 0.0 111.038 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.486 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 0.4 OUTLIER -68.36 134.99 51.12 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.536 0.786 . . . . 0.0 110.296 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 148.32 -173.83 28.19 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.453 1.096 . . . . 0.0 111.038 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -10.01 20.94 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.453 1.765 . . . . 0.0 110.954 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.513 ' O ' HD11 ' A' ' 29' ' ' ILE . 6.2 mp -54.16 -60.86 2.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.521 1.138 . . . . 0.0 109.312 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.601 HG21 HD11 ' A' ' 102' ' ' LEU . 30.7 p -110.75 4.15 19.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.495 1.122 . . . . 0.0 110.417 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 65.31 19.58 11.69 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.461 1.101 . . . . 0.0 110.34 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.57 HG11 ' SG ' ' A' ' 53' ' ' CYS . 43.3 t -81.15 133.84 28.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 40.0 p -131.03 24.72 4.94 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.514 1.134 . . . . 0.0 110.375 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.42 ' OD1' ' N ' ' A' ' 51' ' ' ARG . 27.2 t0 -82.38 134.78 35.25 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.516 1.135 . . . . 0.0 109.288 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . 0.42 ' N ' ' OD1' ' A' ' 50' ' ' ASP . 60.9 mtt180 -60.39 -46.06 91.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.474 1.109 . . . . 0.0 110.311 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 9.4 mmtm -50.26 -31.1 13.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.464 1.103 . . . . 0.0 109.356 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.57 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.5 OUTLIER -70.61 135.79 48.69 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 108.327 179.957 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.411 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -112.29 133.09 54.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.525 1.14 . . . . 0.0 110.015 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.411 ' C ' ' O ' ' A' ' 54' ' ' SER . 9.5 mtt180 -37.6 -36.03 0.15 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.489 1.118 . . . . 0.0 110.277 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.623 ' HA ' HG13 ' A' ' 39' ' ' VAL . 2.0 m120 -123.22 60.74 1.05 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 41.3 tp60 -65.81 -46.89 76.96 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.467 1.105 . . . . 0.0 110.337 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.435 HG12 ' HA ' ' A' ' 73' ' ' GLN . 4.6 m -146.56 158.44 10.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.305 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.905 ' HB2' HD11 ' A' ' 74' ' ' LEU . 10.5 tt0 -111.79 106.42 15.18 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.469 1.105 . . . . 0.0 110.255 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . . . . . . . . . 2.8 mp -86.09 141.32 29.5 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.505 1.128 . . . . 0.0 109.349 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.54 HG12 ' HB2' ' A' ' 37' ' ' ALA . 86.5 mt -137.84 119.29 17.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.343 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.949 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.02 130.74 40.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.13 . . . . 0.0 109.302 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -129.81 85.02 59.24 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.53 1.144 . . . . 0.0 109.262 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 0.79 8.49 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.467 1.772 . . . . 0.0 111.039 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.2 pt-20 -65.91 -32.59 74.19 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.125 . . . . 0.0 110.273 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.46 ' O ' HG23 ' A' ' 68' ' ' THR . 58.2 m -152.16 35.38 0.53 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.019 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 3.4 mpp_? 45.02 67.02 0.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.504 1.127 . . . . 0.0 110.334 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.46 HG23 ' O ' ' A' ' 66' ' ' SER . 1.5 p -144.61 177.27 8.8 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.488 1.118 . . . . 0.0 110.392 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.445 HG23 ' C ' ' A' ' 68' ' ' THR . 89.2 t -154.1 138.5 9.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.483 1.115 . . . . 0.0 109.281 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -100.26 143.44 30.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.504 1.128 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.521 HG21 ' CD1' ' A' ' 94' ' ' LEU . 94.1 t -128.59 123.17 59.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.402 ' O ' ' HA ' ' A' ' 58' ' ' VAL . 4.7 ttpt -122.55 120.18 33.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.503 1.127 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.435 ' HA ' HG12 ' A' ' 58' ' ' VAL . 36.7 tt0 -76.35 116.95 17.53 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.516 1.135 . . . . 0.0 110.281 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.905 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -118.37 8.23 12.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 179.989 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -99.06 -145.71 19.04 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.55 1.156 . . . . 0.0 110.996 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -118.98 -50.44 3.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.331 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.432 ' HB3' HG23 ' A' ' 103' ' ' VAL . 57.8 m-80 -66.19 138.93 96.23 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 127.52 10.73 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.508 1.793 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 10.2 m -92.25 159.3 15.69 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.465 1.103 . . . . 0.0 109.985 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 56.2 m -120.23 114.33 21.75 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.532 1.145 . . . . 0.0 110.364 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.745 HG22 HD13 ' A' ' 100' ' ' LEU . 54.3 t -97.7 92.44 2.91 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.259 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 88.68 -94.22 1.97 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.497 1.123 . . . . 0.0 111.037 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.428 ' O ' HG22 ' A' ' 83' ' ' VAL . 10.6 p -135.6 21.18 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.52 0.777 . . . . 0.0 109.247 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 21.8 tt0 -125.21 143.7 50.82 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 110.269 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.79 135.3 34.02 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.472 1.108 . . . . 0.0 110.285 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.419 HD23 ' HA ' ' A' ' 86' ' ' LEU . 11.0 mt -95.6 -172.17 2.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.468 1.105 . . . . 0.0 109.271 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.474 ' HB2' HD22 ' A' ' 90' ' ' LEU . 3.2 mttt -146.54 172.34 5.35 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.497 1.123 . . . . 0.0 109.288 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 112.43 3.56 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.483 1.78 . . . . 0.0 110.979 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 97.63 2.26 58.7 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.517 1.136 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.474 HD22 ' HB2' ' A' ' 87' ' ' LYS . 5.3 tp -84.61 -179.39 7.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 0.767 . . . . 0.0 109.32 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.87 133.57 7.17 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.493 1.121 . . . . 0.0 109.986 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -133.12 -171.08 12.61 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.487 1.117 . . . . 0.0 110.999 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 58.2 m -128.55 154.07 46.54 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.515 0.774 . . . . 0.0 109.975 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.701 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -128.78 122.35 30.38 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 109.328 179.997 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 17.2 m -93.83 172.85 7.99 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 110.049 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.691 HD11 ' HB3' ' A' ' 113' ' ' TRP . 3.5 mt -63.82 115.85 5.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.534 1.146 . . . . 0.0 109.309 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 108.5 -38.12 3.48 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.487 1.117 . . . . 0.0 110.968 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -44.03 161.87 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 109.319 179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.471 HG12 ' N ' ' A' ' 100' ' ' LEU . 79.4 t -112.14 163.57 8.96 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.745 HD13 HG22 ' A' ' 81' ' ' VAL . 60.8 tp -144.93 89.4 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.479 ' O ' ' C ' ' A' ' 102' ' ' LEU . 95.1 m-85 -66.8 99.73 0.64 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.716 HD12 HD11 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -34.6 -60.09 0.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.508 1.13 . . . . 0.0 109.288 -179.99 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.544 HG22 ' H ' ' A' ' 104' ' ' ASN . 12.3 p -162.97 172.13 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.49 1.118 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.544 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.5 OUTLIER 41.24 40.61 1.21 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 1.118 . . . . 0.0 109.311 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 42.83 24.52 0.26 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.477 1.111 . . . . 0.0 111.014 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.425 ' N ' ' C ' ' A' ' 104' ' ' ASN . 26.0 mt -118.75 -170.18 1.86 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.503 0.766 . . . . 0.0 109.293 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.51 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 9.2 m-85 38.11 58.26 4.92 Favored Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.461 1.1 . . . . 0.0 111.025 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.51 ' HD3' ' N ' ' A' ' 107' ' ' TYR . 18.1 Cg_endo -75.0 177.12 9.02 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.514 1.797 . . . . 0.0 110.991 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.716 HD11 HD12 ' A' ' 102' ' ' LEU . 4.7 mp -151.97 162.94 40.28 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 109.304 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 46.4 m -121.92 119.09 30.52 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.432 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.446 ' O ' HD23 ' A' ' 96' ' ' LEU . 21.3 tp -73.37 116.77 14.32 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.498 1.123 . . . . 0.0 109.258 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 27.0 mmt180 -117.85 169.46 9.6 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.468 1.105 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.691 ' HB3' HD11 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -144.91 127.69 16.29 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 108.057 179.972 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.485 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 28.6 t -73.86 149.37 41.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.026 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -157.88 177.87 34.44 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.502 1.126 . . . . 0.0 111.017 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 115.27 4.24 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.498 1.788 . . . . 0.0 111.003 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 29.8 m -167.98 -65.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.025 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 29.6 t 43.66 91.99 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.559 1.162 . . . . 0.0 110.013 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.981 0 O-C-N 124.487 1.117 . . . . 0.0 111.029 -179.999 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.053 0 N-CA-C 110.945 -0.862 . . . . 0.0 110.945 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.3 t -97.1 84.26 3.49 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.54 0.788 . . . . 0.0 109.995 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -93.7 154.87 17.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 1.139 . . . . 0.0 110.032 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.5 60.87 0.17 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.501 1.126 . . . . 0.0 110.98 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 43.3 m -145.02 146.19 31.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.465 0.744 . . . . 0.0 110.066 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.1 m 63.42 166.69 0.13 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.027 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.32 177.62 19.04 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.52 1.138 . . . . 0.0 111.029 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -38.93 124.22 1.38 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.548 0.793 . . . . 0.0 110.981 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.5 t -104.98 -61.33 1.48 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 110.019 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 13.5 tt0 -176.21 95.64 0.06 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.563 1.165 . . . . 0.0 110.31 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 20.7 mt 63.31 141.35 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.112 . . . . 0.0 109.291 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 147.6 -135.81 5.77 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.552 1.158 . . . . 0.0 110.969 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 4.3 m 59.06 172.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 0.756 . . . . 0.0 109.98 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 6.4 mtt85 -117.28 173.0 6.93 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.475 1.11 . . . . 0.0 110.273 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.564 ' HA3' ' CZ2' ' A' ' 113' ' ' TRP . . . -51.32 166.78 0.69 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.448 1.092 . . . . 0.0 110.981 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.5 mmt180 -148.34 128.38 13.62 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.524 0.779 . . . . 0.0 110.303 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.663 HD22 HD11 ' A' ' 111' ' ' LEU . 4.2 mt -83.03 143.7 30.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.482 1.114 . . . . 0.0 109.341 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.437 ' CB ' ' O ' ' A' ' 29' ' ' ILE . 38.0 p-90 -165.78 164.26 18.81 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.509 1.13 . . . . 0.0 107.976 -179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.836 ' CD2' HD21 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -98.95 145.32 27.16 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.256 179.985 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 37.5 tt0 -117.11 102.97 9.76 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.472 1.107 . . . . 0.0 110.326 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.77 148.2 75.63 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.006 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.403 ' O ' ' C ' ' A' ' 23' ' ' THR . 18.3 Cg_endo -75.0 170.9 19.4 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.508 1.794 . . . . 0.0 110.999 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.403 ' C ' ' O ' ' A' ' 22' ' ' PRO . 21.9 m -38.63 153.94 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 110.392 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 51.22 61.07 6.54 Favored Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.448 1.092 . . . . 0.0 110.965 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -154.15 -178.36 28.5 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 111.038 -0.825 . . . . 0.0 111.038 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.448 ' CD ' ' HG3' ' A' ' 47' ' ' GLN . 18.4 Cg_endo -75.02 172.51 16.24 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.525 1.803 . . . . 0.0 111.005 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 173.12 15.05 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.485 1.781 . . . . 0.0 111.029 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 116.71 4.67 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.507 1.793 . . . . 0.0 110.962 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.465 HD11 ' O ' ' A' ' 45' ' ' LEU . 2.5 mp -81.27 135.67 24.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -99.6 102.3 13.76 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.471 1.107 . . . . 0.0 110.973 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.868 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 1.5 mt -60.95 160.29 21.74 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.508 1.13 . . . . 0.0 109.289 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.648 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.3 Cg_endo -75.04 163.86 34.41 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.513 1.797 . . . . 0.0 110.97 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.432 ' C ' ' N ' ' A' ' 35' ' ' GLY . 4.2 p -110.4 -36.69 5.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.496 1.122 . . . . 0.0 109.982 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 27.4 m-20 -41.54 -29.7 0.18 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.432 ' N ' ' C ' ' A' ' 33' ' ' SER . . . 118.95 5.31 11.96 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.455 1.097 . . . . 0.0 110.985 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.452 ' O ' HG23 ' A' ' 61' ' ' ILE . 32.0 mt-30 -62.13 164.84 6.32 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.464 0.744 . . . . 0.0 110.286 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.735 ' HB1' ' HG2' ' A' ' 59' ' ' GLU . . . -110.06 118.0 35.26 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.255 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.5 HD23 HD22 ' A' ' 31' ' ' LEU . 16.9 tp -91.26 104.81 17.31 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.49 1.119 . . . . 0.0 109.264 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.445 HG13 ' HA ' ' A' ' 56' ' ' ASN . 0.9 OUTLIER -71.83 147.5 10.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.495 1.122 . . . . 0.0 109.273 179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.641 HD12 HD13 ' A' ' 60' ' ' LEU . 14.6 mt -127.91 173.82 9.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.465 ' HA2' ' CD2' ' A' ' 102' ' ' LEU . . . 148.48 -150.1 22.22 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 2.0 mtp180 -63.07 137.75 58.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.438 0.728 . . . . 0.0 110.316 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 142.87 -175.97 22.75 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.513 1.133 . . . . 0.0 110.989 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -13.5 21.23 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.502 1.79 . . . . 0.0 111.016 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.465 ' O ' HD11 ' A' ' 29' ' ' ILE . 2.7 mt -52.86 -57.35 10.52 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.471 1.107 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.817 HG21 HD11 ' A' ' 102' ' ' LEU . 81.3 p -112.66 9.71 19.31 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.542 1.151 . . . . 0.0 110.368 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.448 ' HG3' ' CD ' ' A' ' 26' ' ' PRO . 3.6 mm-40 57.61 26.11 12.46 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.468 1.105 . . . . 0.0 110.324 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.579 HG11 ' SG ' ' A' ' 53' ' ' CYS . 69.8 t -91.42 131.15 39.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 12.0 p -128.03 24.07 6.04 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.123 . . . . 0.0 110.438 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -88.05 127.91 35.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.517 1.135 . . . . 0.0 109.306 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.3 mmm-85 -52.18 -45.45 65.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.525 1.141 . . . . 0.0 110.315 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 1.4 mptt -50.94 -23.18 2.68 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.484 1.115 . . . . 0.0 109.286 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.579 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -88.06 109.32 19.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.464 1.103 . . . . 0.0 108.31 -179.995 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.05 139.48 30.41 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.992 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.479 ' CZ ' ' HB2' ' A' ' 55' ' ' ARG . 27.9 mtm105 -37.97 -33.72 0.09 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.122 . . . . 0.0 110.317 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.445 ' HA ' HG13 ' A' ' 39' ' ' VAL . 0.9 OUTLIER -124.65 57.44 1.26 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.508 1.13 . . . . 0.0 109.346 179.93 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 34.4 tp60 -64.76 -41.45 95.87 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.289 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -144.93 175.58 2.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.544 1.153 . . . . 0.0 109.246 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.861 ' HB2' HD11 ' A' ' 74' ' ' LEU . 25.8 tt0 -132.02 111.04 11.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.115 . . . . 0.0 110.293 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.804 HD21 HD23 ' A' ' 100' ' ' LEU . 4.1 mp -95.87 137.09 35.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.506 1.129 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.728 ' O ' HG13 ' A' ' 69' ' ' VAL . 2.3 mp -134.21 121.7 38.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.473 1.108 . . . . 0.0 109.278 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.868 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.75 121.82 22.33 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.535 1.147 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -121.47 86.46 44.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.49 1.119 . . . . 0.0 109.348 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.01 0.49 8.84 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.489 1.784 . . . . 0.0 110.959 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -62.73 -40.95 98.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.533 1.146 . . . . 0.0 110.258 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 1.4 m -142.77 36.81 1.44 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.474 1.109 . . . . 0.0 109.995 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.639 ' HB3' HD12 ' A' ' 96' ' ' LEU . 7.7 mtp180 45.36 62.81 2.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.448 1.092 . . . . 0.0 110.294 -179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -145.55 176.72 9.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 110.366 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.728 HG13 ' O ' ' A' ' 61' ' ' ILE . 97.4 t -150.18 137.68 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.515 1.134 . . . . 0.0 109.331 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -93.13 144.96 24.77 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.534 1.146 . . . . 0.0 109.326 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.716 HG21 HD13 ' A' ' 94' ' ' LEU . 23.1 t -132.41 116.55 28.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.473 1.108 . . . . 0.0 109.348 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 4.0 ttpt -117.69 126.82 53.18 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.531 1.144 . . . . 0.0 109.324 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.42 ' HG2' ' HA ' ' A' ' 88' ' ' PRO . 32.1 tt0 -80.94 114.53 19.88 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.439 1.087 . . . . 0.0 110.277 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.861 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.0 OUTLIER -116.29 -4.14 11.9 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.529 1.143 . . . . 0.0 109.274 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -86.96 -140.04 6.06 Favored Glycine 0 CA--C 1.531 1.042 0 O-C-N 124.552 1.157 . . . . 0.0 111.017 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.3 p -127.67 -52.99 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.504 0.767 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.509 ' HB3' HG23 ' A' ' 103' ' ' VAL . 4.7 m-80 -60.13 143.74 88.06 Favored Pre-proline 0 C--N 1.325 -0.468 0 O-C-N 124.474 1.109 . . . . 0.0 109.335 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 122.46 7.23 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.517 1.798 . . . . 0.0 111.007 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 4.1 m -89.92 158.99 17.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.477 1.111 . . . . 0.0 109.943 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 88.4 m -122.63 114.55 20.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.501 1.126 . . . . 0.0 110.4 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.771 HG13 ' CD1' ' A' ' 94' ' ' LEU . 40.0 t -96.1 87.89 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.442 1.089 . . . . 0.0 109.319 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 89.09 -93.66 1.92 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.478 1.111 . . . . 0.0 110.994 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.432 ' O ' HG22 ' A' ' 83' ' ' VAL . 10.9 p -134.02 19.54 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.503 0.766 . . . . 0.0 109.31 -179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.417 ' HG2' ' N ' ' A' ' 85' ' ' GLU . 0.6 OUTLIER -124.9 136.41 53.75 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.34 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.417 ' N ' ' HG2' ' A' ' 84' ' ' GLN . 0.2 OUTLIER -83.82 141.68 31.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.528 1.142 . . . . 0.0 110.31 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 10.1 mt -101.66 -172.25 2.12 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.491 1.119 . . . . 0.0 109.287 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.541 ' HB2' HD22 ' A' ' 90' ' ' LEU . 0.0 OUTLIER -148.05 172.85 4.72 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.49 1.119 . . . . 0.0 109.298 -179.989 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.42 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -75.06 114.55 4.05 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.531 1.806 . . . . 0.0 111.034 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.68 3.68 62.42 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.472 1.108 . . . . 0.0 110.985 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.541 HD22 ' HB2' ' A' ' 87' ' ' LYS . 5.2 tp -85.01 -178.69 6.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.517 0.775 . . . . 0.0 109.319 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.79 133.4 7.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.579 1.174 . . . . 0.0 109.981 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -133.21 -172.68 13.04 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.511 1.132 . . . . 0.0 110.971 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 24.4 p -132.62 146.08 51.6 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.498 0.764 . . . . 0.0 110.044 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.771 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -116.18 130.35 56.75 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 109.267 -179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.4 m -94.26 161.62 14.18 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.502 1.127 . . . . 0.0 109.997 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.639 HD12 ' HB3' ' A' ' 67' ' ' ARG . 3.6 mt -59.59 107.93 0.66 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.503 1.127 . . . . 0.0 109.289 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 112.83 -23.23 15.04 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 111.013 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -61.2 157.29 16.48 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 0.758 . . . . 0.0 109.304 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.506 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 80.7 t -105.8 162.01 5.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.504 1.128 . . . . 0.0 109.27 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.804 HD23 HD21 ' A' ' 60' ' ' LEU . 24.9 tp -144.7 85.73 1.78 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.486 1.116 . . . . 0.0 109.26 -179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.427 ' O ' ' C ' ' A' ' 102' ' ' LEU . 99.7 m-85 -62.1 99.71 0.14 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.533 1.146 . . . . 0.0 111.043 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.817 HD11 HG21 ' A' ' 46' ' ' THR . 0.0 OUTLIER -37.99 -59.0 0.88 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.475 1.11 . . . . 0.0 109.286 -179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.567 HG22 ' H ' ' A' ' 104' ' ' ASN . 12.9 p -159.58 172.8 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.424 1.078 . . . . 0.0 109.327 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.567 ' H ' HG22 ' A' ' 103' ' ' VAL . 1.4 m120 39.7 45.6 1.45 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.514 1.134 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . 0.4 ' C ' ' O ' ' A' ' 104' ' ' ASN . . . 37.05 30.23 0.04 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.495 1.122 . . . . 0.0 111.026 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.476 ' N ' ' O ' ' A' ' 104' ' ' ASN . 11.7 mt -122.26 -172.02 2.38 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.507 0.769 . . . . 0.0 109.315 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.472 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 5.8 m-85 42.05 60.21 9.36 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 110.983 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.506 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.2 Cg_endo -75.0 134.17 17.47 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.545 1.813 . . . . 0.0 111.03 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.694 ' CD2' HD12 ' A' ' 102' ' ' LEU . 4.1 mm? -110.56 113.25 25.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.487 1.117 . . . . 0.0 109.315 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 13.4 m -85.45 121.02 27.57 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 1.099 . . . . 0.0 110.408 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.663 HD11 HD22 ' A' ' 17' ' ' LEU . 18.7 tp -76.24 124.36 27.35 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 12.2 mmt180 -122.83 162.2 22.6 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.524 1.14 . . . . 0.0 110.297 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.564 ' CZ2' ' HA3' ' A' ' 15' ' ' GLY . 0.7 OUTLIER -132.28 128.82 38.62 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.537 1.148 . . . . 0.0 107.986 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 2.1 t -75.41 134.7 40.86 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.459 1.099 . . . . 0.0 109.957 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 165.89 165.23 22.89 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.468 1.105 . . . . 0.0 110.997 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 147.24 33.61 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.541 1.811 . . . . 0.0 111.053 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -173.71 117.95 0.27 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.9 t -158.5 -58.52 0.07 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.534 1.146 . . . . 0.0 109.978 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 O-C-N 124.479 1.112 . . . . 0.0 111.027 -179.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 40.0 m 62.15 164.29 0.09 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.509 0.77 . . . . 0.0 110.043 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 t -143.45 -60.61 0.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.458 1.099 . . . . 0.0 110.002 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.68 164.73 33.87 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.501 1.126 . . . . 0.0 111.007 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -46.85 159.88 0.09 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.552 0.795 . . . . 0.0 110.074 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.1 t -111.92 -58.39 2.13 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 1.141 . . . . 0.0 109.977 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.09 -169.7 28.78 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.463 1.102 . . . . 0.0 111.026 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 13.0 mmm -131.07 -55.77 1.04 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.496 0.762 . . . . 0.0 110.988 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 79.2 p -98.7 101.41 12.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.551 1.157 . . . . 0.0 110.006 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -156.01 89.9 1.18 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.509 1.131 . . . . 0.0 110.323 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 76.0 mt -70.65 -60.64 2.14 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.297 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 168.6 66.2 0.03 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.116 . . . . 0.0 111.023 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.0 t 65.42 132.79 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.515 0.774 . . . . 0.0 110.037 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 30.9 mtp180 -87.23 175.63 7.95 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.486 1.116 . . . . 0.0 110.316 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.555 ' HA3' ' CZ2' ' A' ' 113' ' ' TRP . . . -57.92 159.09 14.14 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.535 1.147 . . . . 0.0 111.034 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -144.35 131.69 20.81 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.497 0.763 . . . . 0.0 110.333 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.815 HD22 HD11 ' A' ' 111' ' ' LEU . 5.4 mt -84.23 143.53 29.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 109.298 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 48.7 p-90 -166.85 155.57 10.32 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.517 1.135 . . . . 0.0 108.0 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.699 ' CD2' HD21 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -92.98 149.04 21.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.276 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 40.8 tt0 -118.76 99.69 6.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.489 1.118 . . . . 0.0 110.331 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . 0.468 ' CB ' ' HD2' ' A' ' 26' ' ' PRO . 0.6 OUTLIER -73.84 143.66 81.66 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.998 -179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 171.5 18.19 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.525 1.802 . . . . 0.0 110.97 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.733 HG22 ' O ' ' A' ' 23' ' ' THR . 2.9 m 44.87 37.36 2.3 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.526 1.141 . . . . 0.0 110.389 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 25' ' ' GLY . . . 69.5 -52.71 0.65 Allowed Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.504 1.127 . . . . 0.0 110.973 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.403 ' C ' ' O ' ' A' ' 24' ' ' GLY . . . 37.3 -140.11 0.38 Allowed Glycine 0 CA--C 1.531 1.031 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.468 ' HD2' ' CB ' ' A' ' 21' ' ' SER . 18.3 Cg_endo -74.98 173.8 13.87 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.526 1.803 . . . . 0.0 110.994 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 166.53 28.98 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.495 1.787 . . . . 0.0 111.024 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 110.97 3.22 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.447 1.762 . . . . 0.0 110.973 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 mp -78.68 118.47 26.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.477 1.111 . . . . 0.0 109.281 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 96.0 m-85 -84.08 105.37 14.89 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.515 1.134 . . . . 0.0 110.98 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.89 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 3.7 mt -60.67 157.44 37.96 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.14 . . . . 0.0 109.308 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.528 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.1 Cg_endo -75.07 134.87 18.22 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.515 1.798 . . . . 0.0 110.963 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 61.3 p -84.78 -30.47 24.59 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.506 1.128 . . . . 0.0 110.008 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -49.28 -32.98 11.91 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.304 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 125.47 -7.93 7.9 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 0.0 111.047 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 6.4 mp0 -46.73 170.95 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.515 0.774 . . . . 0.0 110.301 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.896 ' HB1' ' CG ' ' A' ' 59' ' ' GLU . . . -118.55 121.32 39.95 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.501 1.126 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.469 HD12 ' HA ' ' A' ' 38' ' ' LEU . 8.2 tp -91.04 101.38 14.14 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.672 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.6 t -70.81 115.2 10.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.311 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.517 HD22 HD13 ' A' ' 60' ' ' LEU . 1.1 mp -93.11 174.05 7.42 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.138 . . . . 0.0 109.297 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 137.96 -162.38 25.59 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.472 1.107 . . . . 0.0 110.965 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -48.71 147.77 2.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.548 0.793 . . . . 0.0 110.333 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 129.82 178.89 15.65 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.459 1.099 . . . . 0.0 111.035 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.02 -1.56 11.39 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.52 1.8 . . . . 0.0 110.985 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.1 mp -60.27 -61.13 2.83 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.312 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.527 HG21 HD11 ' A' ' 102' ' ' LEU . 54.8 p -112.11 4.22 17.82 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.47 1.106 . . . . 0.0 110.41 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 3.7 mm-40 65.55 25.87 11.73 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.286 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.805 HG11 ' SG ' ' A' ' 53' ' ' CYS . 24.9 t -85.63 130.73 35.86 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.498 1.124 . . . . 0.0 109.329 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 50' ' ' ASP . 44.1 p -116.82 -30.17 5.83 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.464 1.103 . . . . 0.0 110.399 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . 0.4 ' C ' ' O ' ' A' ' 49' ' ' THR . 51.5 t0 -39.58 124.46 1.65 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.564 1.165 . . . . 0.0 109.32 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 9.2 ptm180 -59.77 -29.06 67.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 110.304 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.4 mttt -59.54 -16.48 25.17 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.473 1.108 . . . . 0.0 109.308 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.805 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -90.24 121.99 32.76 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.465 1.103 . . . . 0.0 108.302 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -97.81 136.88 37.5 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.498 1.124 . . . . 0.0 109.956 -179.983 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.69 -32.39 0.08 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.496 1.122 . . . . 0.0 110.299 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.672 ' HA ' HG13 ' A' ' 39' ' ' VAL . 1.2 p30 -123.68 54.85 1.28 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.517 1.136 . . . . 0.0 109.258 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.554 ' O ' HG13 ' A' ' 58' ' ' VAL . 46.4 tp60 -65.5 -34.51 78.45 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.478 1.111 . . . . 0.0 110.284 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.554 HG13 ' O ' ' A' ' 57' ' ' GLN . 3.6 m -155.64 158.09 3.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.322 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.917 ' HB2' HD11 ' A' ' 74' ' ' LEU . 18.0 tt0 -116.71 104.0 10.92 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.545 1.153 . . . . 0.0 110.305 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.517 HD13 HD22 ' A' ' 40' ' ' LEU . 0.4 OUTLIER -87.08 139.14 30.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.451 1.094 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.45 HD11 ' HB2' ' A' ' 37' ' ' ALA . 38.9 mt -136.63 119.44 21.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.318 179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.89 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.51 125.1 27.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.461 1.101 . . . . 0.0 109.308 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -120.97 87.98 44.1 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.455 1.097 . . . . 0.0 109.312 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.01 0.68 8.61 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.577 1.83 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -65.33 -46.52 79.93 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 110.355 179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 24.1 m -138.21 30.1 2.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.509 1.131 . . . . 0.0 110.023 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.619 ' HB3' HD12 ' A' ' 96' ' ' LEU . 1.7 mpt_? 52.59 50.24 18.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.492 1.12 . . . . 0.0 110.303 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 1.7 p -124.79 177.02 6.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.527 1.142 . . . . 0.0 110.394 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.489 ' CG2' HD22 ' A' ' 111' ' ' LEU . 84.9 t -150.76 141.37 16.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 109.316 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -104.48 138.05 41.43 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.481 1.113 . . . . 0.0 109.304 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.513 HG21 HD13 ' A' ' 94' ' ' LEU . 48.9 t -131.52 128.19 60.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 5.5 ttpm? -129.22 122.99 30.85 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.492 1.12 . . . . 0.0 109.307 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.442 ' OE1' ' HA ' ' A' ' 78' ' ' PRO . 32.2 tt0 -72.75 119.98 17.74 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.555 1.159 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.917 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -121.09 9.74 10.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.498 1.124 . . . . 0.0 109.34 179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -104.22 -150.33 20.83 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.454 1.096 . . . . 0.0 111.013 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.51 HG13 ' N ' ' A' ' 77' ' ' ASN . 13.5 p -112.49 -51.64 5.64 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.529 0.782 . . . . 0.0 109.282 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.51 ' N ' HG13 ' A' ' 76' ' ' VAL . 33.2 m-80 -65.07 141.2 98.27 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.146 . . . . 0.0 109.295 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.442 ' HA ' ' OE1' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -75.0 133.12 16.2 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.496 1.788 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.9 m -97.53 159.51 14.88 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.143 . . . . 0.0 110.004 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 59.6 m -121.09 109.56 15.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.536 1.148 . . . . 0.0 110.38 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.861 HG22 HD13 ' A' ' 100' ' ' LEU . 11.1 t -92.9 80.5 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.261 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 100.04 -96.6 1.64 Allowed Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.534 1.146 . . . . 0.0 110.976 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.4 p -133.75 19.47 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.507 0.769 . . . . 0.0 109.275 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 13.6 tt0 -125.1 140.09 53.2 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.27 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -84.58 142.41 29.99 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.516 1.135 . . . . 0.0 110.313 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.439 HD23 ' HA ' ' A' ' 86' ' ' LEU . 12.7 mt -102.85 -176.62 3.14 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.485 1.116 . . . . 0.0 109.31 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.4 ' O ' ' HB3' ' A' ' 73' ' ' GLN . 7.9 mttt -141.19 172.13 6.54 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.504 1.127 . . . . 0.0 109.32 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 110.28 3.09 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.52 1.8 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 99.32 2.48 56.72 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.521 1.138 . . . . 0.0 110.959 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.424 HD12 ' HA ' ' A' ' 90' ' ' LEU . 6.2 tp -87.06 167.25 14.37 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 0.792 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -144.13 138.7 28.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.538 1.149 . . . . 0.0 109.996 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -135.44 -169.27 11.81 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' A' ' 69' ' ' VAL . 36.5 m -134.75 153.75 51.88 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 0.771 . . . . 0.0 109.965 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.813 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -126.02 130.74 51.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.508 1.13 . . . . 0.0 109.298 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 21.0 m -95.67 165.29 12.39 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.537 1.148 . . . . 0.0 109.984 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.619 HD12 ' HB3' ' A' ' 67' ' ' ARG . 4.0 mt -61.19 105.16 0.46 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.509 1.131 . . . . 0.0 109.259 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 116.67 -24.84 9.38 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.499 1.125 . . . . 0.0 110.995 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -59.76 152.42 22.91 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 0.752 . . . . 0.0 109.304 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.494 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 97.6 t -101.33 162.91 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.308 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.861 HD13 HG22 ' A' ' 81' ' ' VAL . 39.7 tp -144.95 84.49 1.72 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.523 1.139 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.409 ' O ' ' C ' ' A' ' 102' ' ' LEU . 99.3 m-85 -60.66 100.22 0.1 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.463 1.102 . . . . 0.0 110.989 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.625 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -38.19 -58.73 0.94 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.505 1.128 . . . . 0.0 109.306 -179.99 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.594 HG22 ' H ' ' A' ' 104' ' ' ASN . 7.4 p -162.59 173.88 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.432 1.082 . . . . 0.0 109.322 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.594 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.5 OUTLIER 42.94 36.59 0.91 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 46.26 23.43 1.21 Allowed Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.511 1.132 . . . . 0.0 111.006 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 30.8 mt -119.82 -171.55 2.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.54 0.788 . . . . 0.0 109.32 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.475 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 2.5 m-85 43.47 59.83 11.56 Favored Pre-proline 0 C--N 1.324 -0.5 0 O-C-N 124.543 1.152 . . . . 0.0 110.972 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.494 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.2 Cg_endo -75.05 133.97 17.17 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.461 1.769 . . . . 0.0 110.957 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.625 ' CD2' HD12 ' A' ' 102' ' ' LEU . 4.1 mm? -111.09 104.35 12.89 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.333 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.416 ' O ' ' HA ' ' A' ' 19' ' ' LEU . 3.1 m -77.92 129.42 35.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.512 1.132 . . . . 0.0 110.423 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.815 HD11 HD22 ' A' ' 17' ' ' LEU . 10.2 tp -81.52 130.79 35.18 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.303 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.506 ' N ' HD12 ' A' ' 111' ' ' LEU . 23.0 mmt180 -129.25 165.9 20.48 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.091 . . . . 0.0 110.312 -179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.555 ' CZ2' ' HA3' ' A' ' 15' ' ' GLY . 2.3 t-105 -141.64 127.07 18.79 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.483 1.115 . . . . 0.0 108.007 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.444 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 3.5 t -75.03 149.6 39.18 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 109.991 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -161.34 165.47 35.47 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.469 1.106 . . . . 0.0 111.021 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 57.09 4.43 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.517 1.798 . . . . 0.0 111.003 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 52.9 m 42.25 88.67 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.508 1.13 . . . . 0.0 110.023 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -171.51 132.03 0.75 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.022 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.991 0 O-C-N 124.493 1.12 . . . . 0.0 110.999 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.04 -0.824 . . . . 0.0 111.04 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 t -160.64 -58.43 0.06 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.487 0.757 . . . . 0.0 109.988 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.0 m 61.08 106.69 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.039 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -148.59 -126.95 1.59 Allowed Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.499 1.125 . . . . 0.0 111.03 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -118.16 118.13 31.04 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.539 0.787 . . . . 0.0 109.982 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 92.1 p -178.03 168.97 1.99 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.132 . . . . 0.0 109.976 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.52 -91.71 0.01 OUTLIER Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.484 1.115 . . . . 0.0 111.025 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 59.88 155.88 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.533 0.784 . . . . 0.0 110.993 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.5 t 65.46 160.98 0.13 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.539 1.149 . . . . 0.0 109.964 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 4.4 tm0? -126.98 100.43 6.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.511 1.132 . . . . 0.0 110.334 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.2 mt -63.26 125.2 23.32 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.467 1.104 . . . . 0.0 109.33 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . -157.6 -113.84 0.4 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.533 1.146 . . . . 0.0 110.999 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 86.3 p -117.53 171.39 8.03 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.514 0.773 . . . . 0.0 110.02 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -87.04 -1.77 58.13 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.517 1.136 . . . . 0.0 110.27 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.517 ' HA3' ' CE2' ' A' ' 113' ' ' TRP . . . 176.0 176.5 44.27 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.496 1.123 . . . . 0.0 110.998 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 10.1 mmt180 -129.3 137.53 51.08 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.488 0.757 . . . . 0.0 110.254 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 5.8 mt -83.58 144.17 29.65 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . 0.486 ' C ' HD13 ' A' ' 19' ' ' LEU . 50.6 p-90 -163.99 163.52 23.41 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.488 1.118 . . . . 0.0 108.001 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.73 HD21 HD21 ' A' ' 31' ' ' LEU . 0.3 OUTLIER -104.28 146.21 29.12 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.316 179.954 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 42.0 tt0 -111.54 93.48 4.49 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 110.317 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 1.2 p -67.42 143.2 97.05 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.501 1.126 . . . . 0.0 109.974 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.418 ' O ' HG22 ' A' ' 23' ' ' THR . 18.3 Cg_endo -75.03 164.6 32.99 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.475 1.776 . . . . 0.0 111.004 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.597 ' O ' HG23 ' A' ' 23' ' ' THR . 0.5 OUTLIER 58.45 15.64 3.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.457 1.098 . . . . 0.0 110.418 -179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.412 ' O ' ' C ' ' A' ' 25' ' ' GLY . . . 68.79 -54.99 0.52 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.509 1.131 . . . . 0.0 110.986 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.412 ' C ' ' O ' ' A' ' 24' ' ' GLY . . . 36.07 -119.38 0.47 Allowed Glycine 0 CA--C 1.53 1.002 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 172.66 15.92 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.448 1.762 . . . . 0.0 110.973 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 172.66 15.91 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.478 1.778 . . . . 0.0 111.003 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 118.45 5.27 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.524 1.802 . . . . 0.0 111.005 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 mp -79.97 113.04 18.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.421 1.076 . . . . 0.0 109.298 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 60.1 m-85 -87.21 108.96 19.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.475 1.109 . . . . 0.0 110.944 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.864 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 3.2 mt -62.51 153.89 75.24 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 109.302 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.632 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.3 Cg_endo -74.99 164.11 34.03 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.504 1.791 . . . . 0.0 110.987 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.426 ' C ' ' N ' ' A' ' 35' ' ' GLY . 96.6 p -107.04 -35.36 6.9 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.527 1.142 . . . . 0.0 109.976 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 61.5 m-20 -43.91 -27.36 0.35 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.457 1.098 . . . . 0.0 109.319 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.426 ' N ' ' C ' ' A' ' 33' ' ' SER . . . 114.12 5.2 21.82 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.495 1.122 . . . . 0.0 110.984 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 5.4 mt-30 -58.94 169.73 0.97 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.489 0.758 . . . . 0.0 110.287 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.929 ' HB1' ' CG ' ' A' ' 59' ' ' GLU . . . -115.28 117.78 31.42 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.128 . . . . 0.0 109.284 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 60' ' ' LEU . 9.0 tp -90.99 106.38 18.48 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.295 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.663 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.7 t -74.0 134.91 28.63 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.318 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.52 HD12 HD13 ' A' ' 60' ' ' LEU . 13.5 mt -117.21 163.74 15.84 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.5 1.125 . . . . 0.0 109.273 -179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 154.74 -147.59 16.9 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.458 1.099 . . . . 0.0 110.977 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 6.4 mtp180 -65.12 141.6 58.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 0.742 . . . . 0.0 110.269 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 140.84 -173.87 22.96 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 110.984 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 -7.69 19.4 Favored 'Trans proline' 0 C--N 1.36 1.181 0 O-C-N 124.487 1.783 . . . . 0.0 110.98 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.3 mp -54.91 -61.67 2.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.53 1.143 . . . . 0.0 109.291 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.696 ' OG1' HG23 ' A' ' 48' ' ' VAL . 15.5 p -112.14 6.89 19.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.393 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.5 mm-40 65.12 14.96 9.73 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.511 1.132 . . . . 0.0 110.316 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.696 HG23 ' OG1' ' A' ' 46' ' ' THR . 53.0 t -75.71 133.95 30.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.491 1.119 . . . . 0.0 109.296 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 32.6 p -128.37 10.04 6.19 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.535 1.147 . . . . 0.0 110.398 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -69.31 128.61 37.19 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 109.322 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 6.5 mtt85 -58.01 -44.29 87.17 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.302 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 4.0 mtmt -49.53 -26.75 3.71 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.55 1.156 . . . . 0.0 109.269 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.431 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -76.94 142.05 40.21 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.48 1.113 . . . . 0.0 108.283 179.999 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.409 ' O ' ' N ' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -119.78 133.63 55.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.49 1.119 . . . . 0.0 110.012 179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 10.0 mtt180 -38.12 -32.57 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.501 1.126 . . . . 0.0 110.314 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.663 ' HA ' HG13 ' A' ' 39' ' ' VAL . 2.5 p30 -126.1 61.29 1.28 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.718 ' HG3' HG13 ' A' ' 58' ' ' VAL . 35.9 tp60 -69.49 -50.41 45.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.438 1.086 . . . . 0.0 110.266 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.718 HG13 ' HG3' ' A' ' 57' ' ' GLN . 15.9 m -140.8 154.27 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.929 ' CG ' ' HB1' ' A' ' 37' ' ' ALA . 30.0 tt0 -107.91 114.22 27.99 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.497 1.123 . . . . 0.0 110.294 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.52 HD13 HD12 ' A' ' 40' ' ' LEU . 3.8 mp -95.59 139.92 31.15 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.54 1.15 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.434 ' CG1' ' HA ' ' A' ' 37' ' ' ALA . 16.9 mt -138.59 121.45 18.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.135 . . . . 0.0 109.301 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.864 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.46 129.06 37.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 1.131 . . . . 0.0 109.321 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -124.33 87.75 53.64 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.467 1.105 . . . . 0.0 109.351 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.08 0.59 8.76 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.53 1.805 . . . . 0.0 110.975 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -67.7 -39.73 84.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.498 1.124 . . . . 0.0 110.263 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.464 ' O ' HG23 ' A' ' 68' ' ' THR . 26.5 m -142.6 30.96 1.49 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.505 1.128 . . . . 0.0 110.018 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 47.98 59.05 4.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.518 1.136 . . . . 0.0 110.3 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.464 HG23 ' O ' ' A' ' 66' ' ' SER . 2.0 p -135.59 176.3 8.81 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.534 1.146 . . . . 0.0 110.368 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.41 ' HA ' ' O ' ' A' ' 61' ' ' ILE . 99.0 t -149.05 127.94 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.455 1.097 . . . . 0.0 109.277 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -89.43 142.76 27.37 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.135 . . . . 0.0 109.307 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.527 HG21 ' CD1' ' A' ' 94' ' ' LEU . 69.1 t -128.59 130.24 68.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.518 1.136 . . . . 0.0 109.276 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.443 ' HG2' HD21 ' A' ' 74' ' ' LEU . 4.4 ttpp -132.5 121.16 22.91 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.489 1.118 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.4 ' OE1' ' HA ' ' A' ' 78' ' ' PRO . 36.4 tt0 -78.26 120.16 22.64 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.447 1.092 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.878 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -120.59 0.06 10.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.46 1.1 . . . . 0.0 109.271 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -84.88 -128.28 1.81 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.501 1.126 . . . . 0.0 110.97 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.402 HG13 ' N ' ' A' ' 77' ' ' ASN . 2.7 p -137.07 -52.52 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.402 ' N ' HG13 ' A' ' 76' ' ' VAL . 53.8 m-80 -66.36 142.37 97.73 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.329 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . 0.4 ' HA ' ' OE1' ' A' ' 73' ' ' GLN . 18.3 Cg_endo -74.98 125.09 9.11 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.483 1.781 . . . . 0.0 111.013 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 86' ' ' LEU . 4.1 m -93.68 159.26 15.29 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.51 1.132 . . . . 0.0 110.002 -180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.482 ' HB ' ' CD2' ' A' ' 101' ' ' TYR . 53.4 m -117.54 116.72 27.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.388 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.762 HG22 HD13 ' A' ' 100' ' ' LEU . 21.3 t -97.77 85.77 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.56 -94.24 1.75 Allowed Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.458 1.099 . . . . 0.0 110.994 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.414 ' O ' HG22 ' A' ' 83' ' ' VAL . 10.6 p -133.7 16.81 1.36 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.59 0.818 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -124.74 141.25 52.24 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 110.317 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 31.1 tt0 -86.9 147.83 25.61 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.278 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.439 ' N ' ' O ' ' A' ' 79' ' ' SER . 12.6 mt -108.38 -172.77 2.12 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 109.289 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.47 ' HB2' HD22 ' A' ' 90' ' ' LEU . 7.9 mttt -144.35 172.02 6.0 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 112.31 3.53 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.55 1.816 . . . . 0.0 110.988 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 98.18 0.66 58.39 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.495 1.122 . . . . 0.0 111.005 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.47 HD22 ' HB2' ' A' ' 87' ' ' LYS . 4.8 tp -82.92 -177.87 6.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.46 0.741 . . . . 0.0 109.306 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.415 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -159.29 133.24 7.5 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.518 1.136 . . . . 0.0 110.046 -179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -130.78 -168.82 12.32 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.499 1.124 . . . . 0.0 111.021 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 57.8 p -133.22 151.85 51.94 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 0.763 . . . . 0.0 109.985 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.681 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -127.11 129.51 48.07 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 109.295 -179.977 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.9 m -100.75 166.32 10.93 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.962 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.639 HD21 ' CB ' ' A' ' 113' ' ' TRP . 5.3 mt -59.39 104.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 120.07 -33.52 4.52 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.516 1.135 . . . . 0.0 110.982 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.82 155.43 1.17 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.462 0.742 . . . . 0.0 109.232 -179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.433 HG12 ' N ' ' A' ' 100' ' ' LEU . 94.3 t -104.58 161.26 4.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 109.316 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.762 HD13 HG22 ' A' ' 81' ' ' VAL . 60.9 tp -142.35 89.09 2.13 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.469 1.106 . . . . 0.0 109.27 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.482 ' CD2' ' HB ' ' A' ' 80' ' ' THR . 90.4 m-85 -65.11 100.11 0.42 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.133 . . . . 0.0 110.964 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.751 HD12 HD11 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -35.29 -58.61 0.56 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.445 1.09 . . . . 0.0 109.283 179.993 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.55 HG22 ' H ' ' A' ' 104' ' ' ASN . 12.8 p -165.95 172.36 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 109.272 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.55 ' H ' HG22 ' A' ' 103' ' ' VAL . 1.1 m120 40.43 45.91 1.97 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.547 1.155 . . . . 0.0 109.308 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 37.16 29.72 0.04 OUTLIER Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.529 1.143 . . . . 0.0 111.009 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.475 HD23 ' HA ' ' A' ' 106' ' ' LEU . 11.7 mt -124.36 -170.78 2.21 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 109.283 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.507 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 9.7 m-85 38.64 58.16 5.46 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 111.007 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.55 ' C ' HD12 ' A' ' 109' ' ' LEU . 18.2 Cg_endo -75.01 172.79 15.68 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.435 1.755 . . . . 0.0 110.987 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.751 HD11 HD12 ' A' ' 102' ' ' LEU . 5.6 mp -146.2 171.07 15.49 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.497 1.123 . . . . 0.0 109.303 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 76.8 m -131.07 115.71 16.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.513 1.133 . . . . 0.0 110.402 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . . . . . . . . . 11.4 tp -70.41 113.0 7.12 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.452 ' HB2' ' CZ3' ' A' ' 18' ' ' TRP . 30.1 mmt180 -115.38 160.17 20.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 110.262 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.639 ' CB ' HD21 ' A' ' 96' ' ' LEU . 0.3 OUTLIER -131.59 137.74 48.55 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 108.025 179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.3 t -83.92 131.15 34.88 Favored 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.51 1.131 . . . . 0.0 109.983 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -174.07 -144.93 5.0 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.468 1.105 . . . . 0.0 111.004 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.07 87.46 1.33 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.45 1.763 . . . . 0.0 110.962 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.99 141.22 0.09 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.45 1.094 . . . . 0.0 109.974 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 63.36 153.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.494 1.121 . . . . 0.0 109.994 179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 O-C-N 124.529 1.143 . . . . 0.0 111.007 -179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -58.7 174.34 0.34 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.486 0.756 . . . . 0.0 110.014 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.9 p -39.92 -62.22 0.75 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.494 1.121 . . . . 0.0 110.04 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 147.68 82.66 0.04 OUTLIER Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.456 1.098 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.0 t 75.8 130.86 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.558 0.799 . . . . 0.0 110.015 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.0 p -154.93 76.58 1.0 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.485 1.116 . . . . 0.0 109.968 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.34 167.24 13.39 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.488 1.117 . . . . 0.0 111.003 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -166.19 147.15 6.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.551 0.795 . . . . 0.0 110.995 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -138.7 164.4 29.63 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.983 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 1.3 pt20 -173.29 59.13 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.281 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -52.44 173.86 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.498 1.124 . . . . 0.0 109.239 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 58.09 -96.81 0.07 OUTLIER Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.496 1.122 . . . . 0.0 111.028 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.8 t 67.6 168.38 0.25 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 0.766 . . . . 0.0 110.019 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -53.04 -179.18 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.531 1.144 . . . . 0.0 110.31 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.404 ' HA3' ' CZ2' ' A' ' 113' ' ' TRP . . . -139.51 -164.61 9.96 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.52 1.137 . . . . 0.0 111.03 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -148.11 139.73 23.73 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 0.763 . . . . 0.0 110.322 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.738 HD22 HD11 ' A' ' 111' ' ' LEU . 1.2 mt -82.21 159.01 23.34 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.461 1.101 . . . . 0.0 109.336 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 36.0 p-90 -166.97 158.49 12.49 Favored 'General case' 0 C--N 1.325 -0.485 0 N-CA-C 108.008 -1.108 . . . . 0.0 108.008 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.926 ' CD2' HD21 ' A' ' 31' ' ' LEU . 1.0 OUTLIER -97.24 150.94 20.35 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.564 1.165 . . . . 0.0 109.27 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 39.6 tt0 -122.68 109.79 14.7 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.502 1.126 . . . . 0.0 110.303 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -77.0 145.36 73.65 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 109.998 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 171.1 18.98 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.456 1.766 . . . . 0.0 111.04 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.742 HG22 ' O ' ' A' ' 23' ' ' THR . 2.8 m 41.5 38.14 0.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.142 . . . . 0.0 110.412 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.416 ' O ' ' C ' ' A' ' 25' ' ' GLY . . . 69.45 -52.67 0.64 Allowed Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.522 1.139 . . . . 0.0 111.011 -180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.416 ' C ' ' O ' ' A' ' 24' ' ' GLY . . . 36.56 -140.92 0.24 Allowed Glycine 0 CA--C 1.53 1.005 0 N-CA-C 110.974 -0.85 . . . . 0.0 110.974 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 174.01 13.53 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.422 1.748 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 161.51 38.71 Favored 'Trans proline' 0 C--N 1.359 1.118 0 O-C-N 124.49 1.784 . . . . 0.0 110.993 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 131.68 14.54 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.472 1.775 . . . . 0.0 110.986 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 3.2 mp -99.15 118.89 46.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.52 1.138 . . . . 0.0 109.319 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 69.8 m-85 -85.46 112.43 20.88 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.468 1.105 . . . . 0.0 110.972 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.95 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 1.0 OUTLIER -62.82 162.2 23.39 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 112.42 3.56 Favored 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.496 1.787 . . . . 0.0 111.022 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.5 m -66.1 -28.01 68.49 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.54 1.15 . . . . 0.0 110.014 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 13.2 t0 -47.35 -31.87 4.34 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 123.66 -7.45 8.93 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 111.023 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 4.1 mt-30 -53.84 177.94 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 0.779 . . . . 0.0 110.328 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.567 ' HB2' HG12 ' A' ' 61' ' ' ILE . . . -123.29 121.55 36.12 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.495 1.122 . . . . 0.0 109.308 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 38' ' ' LEU . 5.9 tp -91.3 129.1 37.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.691 HG13 ' HA ' ' A' ' 56' ' ' ASN . 2.1 t -96.1 116.22 37.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.482 1.114 . . . . 0.0 109.296 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 1.024 HD23 HD13 ' A' ' 60' ' ' LEU . 1.9 mm? -99.41 167.76 10.42 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.479 1.112 . . . . 0.0 109.254 -179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.412 ' HA2' HD21 ' A' ' 102' ' ' LEU . . . 147.72 -155.44 26.47 Favored Glycine 0 CA--C 1.531 1.032 0 O-C-N 124.471 1.107 . . . . 0.0 111.015 -179.937 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.479 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 0.8 OUTLIER -58.36 149.3 25.07 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.536 0.786 . . . . 0.0 110.256 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 123.7 -170.51 15.98 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.421 1.076 . . . . 0.0 110.947 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . 0.451 ' HA ' ' OE1' ' A' ' 47' ' ' GLN . 18.3 Cg_endo -74.99 0.56 8.75 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.534 1.807 . . . . 0.0 111.042 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -59.79 -62.26 2.01 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.304 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.426 HG23 HD12 ' A' ' 40' ' ' LEU . 66.3 p -121.4 19.66 11.31 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.15 . . . . 0.0 110.424 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . 0.511 ' NE2' ' N ' ' A' ' 47' ' ' GLN . 1.7 mp0 57.0 21.38 6.21 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.296 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.525 HG11 ' SG ' ' A' ' 53' ' ' CYS . 54.1 t -83.26 131.27 34.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.5 1.125 . . . . 0.0 109.268 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 62.7 p -132.59 29.09 4.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.484 1.115 . . . . 0.0 110.389 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 44.9 t0 -87.5 132.84 33.89 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.136 . . . . 0.0 109.325 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 82.0 mtt180 -58.61 -41.05 84.99 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.522 1.138 . . . . 0.0 110.318 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.429 ' O ' ' ND2' ' A' ' 77' ' ' ASN . 11.2 mttt -55.1 -27.24 43.66 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.297 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.525 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.6 OUTLIER -78.15 163.5 25.78 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.539 1.149 . . . . 0.0 108.301 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.408 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.3 OUTLIER -144.46 139.14 28.12 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.485 1.116 . . . . 0.0 109.991 179.967 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 54' ' ' SER . 3.8 mtm180 -38.38 -37.2 0.28 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.443 1.089 . . . . 0.0 110.3 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.691 ' HA ' HG13 ' A' ' 39' ' ' VAL . 1.0 OUTLIER -123.6 64.3 1.03 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.447 1.092 . . . . 0.0 109.325 179.977 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 38.2 tp60 -72.72 -37.46 67.78 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.503 1.127 . . . . 0.0 110.297 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 2.7 m -150.23 163.55 3.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.544 1.153 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.989 ' HB2' HD11 ' A' ' 74' ' ' LEU . 1.3 tt0 -119.26 110.61 17.2 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.437 1.086 . . . . 0.0 110.291 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 1.024 HD13 HD23 ' A' ' 40' ' ' LEU . 0.9 OUTLIER -93.92 144.64 25.27 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 109.279 -179.982 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.607 ' O ' HG13 ' A' ' 69' ' ' VAL . 58.9 mt -141.64 118.16 7.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.453 1.095 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.95 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.67 129.79 38.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.125 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.418 ' OD1' HG22 ' A' ' 61' ' ' ILE . 11.2 m-20 -127.67 86.03 59.36 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.278 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 0.57 8.75 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.512 1.796 . . . . 0.0 110.98 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -71.7 -45.19 62.61 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.513 1.133 . . . . 0.0 110.333 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.567 ' O ' HG23 ' A' ' 68' ' ' THR . 0.6 OUTLIER -133.11 29.66 4.02 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 110.015 -179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.569 ' HD2' ' CE3' ' A' ' 113' ' ' TRP . 35.5 mmt-85 45.12 55.98 5.84 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.469 1.105 . . . . 0.0 110.284 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.567 HG23 ' O ' ' A' ' 66' ' ' SER . 2.1 p -134.32 176.83 8.25 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 110.361 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.607 HG13 ' O ' ' A' ' 61' ' ' ILE . 89.2 t -154.9 138.78 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.464 1.102 . . . . 0.0 109.29 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -100.91 140.31 35.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.424 1.077 . . . . 0.0 109.32 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.662 HG21 HD13 ' A' ' 94' ' ' LEU . 69.1 t -124.82 114.81 42.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.535 1.147 . . . . 0.0 109.33 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 7.0 ttpt -115.37 120.46 39.66 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.537 1.148 . . . . 0.0 109.273 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.412 ' HG2' ' HA ' ' A' ' 88' ' ' PRO . 31.0 tt0 -74.98 122.33 23.32 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.49 1.118 . . . . 0.0 110.328 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.989 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -119.52 0.33 11.01 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.312 -179.946 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -93.21 -141.89 11.23 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -123.44 -52.34 2.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.512 0.772 . . . . 0.0 109.305 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.429 ' ND2' ' O ' ' A' ' 52' ' ' LYS . 62.2 m-80 -60.2 140.62 91.13 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.435 1.084 . . . . 0.0 109.309 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 121.85 6.82 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.492 1.786 . . . . 0.0 110.974 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 3.5 m -91.14 159.2 16.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.959 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 24.0 m -120.41 116.71 26.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.478 1.111 . . . . 0.0 110.393 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.784 HG13 ' CD1' ' A' ' 94' ' ' LEU . 24.2 t -95.55 79.99 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.26 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 98.65 -97.39 1.87 Allowed Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.497 1.123 . . . . 0.0 110.992 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.7 p -129.73 18.39 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.48 0.753 . . . . 0.0 109.31 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.1 tt0 -125.15 139.75 53.48 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 110.287 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -87.59 134.3 33.65 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.477 1.111 . . . . 0.0 110.331 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.463 HD23 ' HA ' ' A' ' 86' ' ' LEU . 11.0 mt -95.27 -172.05 2.56 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.501 1.125 . . . . 0.0 109.303 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.477 ' HB2' HD22 ' A' ' 90' ' ' LEU . 0.8 OUTLIER -143.63 172.69 5.27 Favored Pre-proline 0 C--N 1.324 -0.506 0 O-C-N 124.495 1.122 . . . . 0.0 109.289 -179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.412 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -74.92 114.26 3.99 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.487 1.783 . . . . 0.0 111.022 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 94.6 3.56 62.63 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.486 1.116 . . . . 0.0 110.975 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.477 HD22 ' HB2' ' A' ' 87' ' ' LYS . 5.3 tp -85.9 -179.43 6.8 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.486 0.756 . . . . 0.0 109.282 -179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -159.62 132.79 6.94 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.455 1.097 . . . . 0.0 110.019 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.86 -168.71 12.17 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.477 1.11 . . . . 0.0 110.993 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 18.2 p -129.18 151.78 49.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.481 0.754 . . . . 0.0 110.03 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.784 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -125.19 116.86 22.69 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.314 179.976 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.4 m -87.82 152.31 22.2 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.465 1.103 . . . . 0.0 110.043 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 1.5 mt -47.59 109.86 0.26 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 114.92 -27.73 8.49 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.463 1.102 . . . . 0.0 111.019 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -58.51 150.27 23.16 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.484 0.755 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.501 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 58.7 t -100.76 162.13 3.34 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.452 1.095 . . . . 0.0 109.27 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.597 HD13 HG22 ' A' ' 81' ' ' VAL . 24.4 tp -141.14 84.45 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.305 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.436 ' O ' ' C ' ' A' ' 102' ' ' LEU . 93.7 m-85 -60.73 99.6 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.523 1.14 . . . . 0.0 111.035 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.724 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.1 OUTLIER -37.76 -58.07 0.94 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 109.309 -179.975 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.588 HG22 ' H ' ' A' ' 104' ' ' ASN . 7.2 p -163.84 173.53 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.297 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.588 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.5 OUTLIER 42.81 36.24 0.83 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.503 1.127 . . . . 0.0 109.296 179.993 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 47.06 22.7 1.36 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.455 1.097 . . . . 0.0 110.954 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 40.8 mt -119.29 -171.25 2.08 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.5 0.765 . . . . 0.0 109.308 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.458 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 3.5 m-85 42.72 61.01 9.71 Favored Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.543 1.152 . . . . 0.0 110.998 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.501 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.2 Cg_endo -75.08 135.66 19.21 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.453 1.765 . . . . 0.0 110.98 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.724 ' CD2' HD12 ' A' ' 102' ' ' LEU . 4.0 mm? -114.99 94.8 4.91 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.413 ' O ' ' HA ' ' A' ' 19' ' ' LEU . 64.6 m -67.7 136.48 54.37 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.429 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.738 HD11 HD22 ' A' ' 17' ' ' LEU . 16.2 tp -84.77 131.76 34.51 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.458 1.099 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 31.2 mmt180 -132.93 166.12 23.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.291 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.569 ' CE3' ' HD2' ' A' ' 67' ' ' ARG . 11.8 t-105 -126.43 145.28 50.54 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.475 1.109 . . . . 0.0 108.019 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.408 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 23.4 t -90.27 134.76 34.1 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.507 1.129 . . . . 0.0 110.008 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 168.7 -170.25 42.19 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.513 1.133 . . . . 0.0 110.996 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 99.24 1.23 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.512 1.796 . . . . 0.0 110.992 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.6 t -173.7 166.68 4.52 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.496 1.122 . . . . 0.0 110.051 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.2 m 63.44 154.77 0.05 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.496 1.123 . . . . 0.0 110.005 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.502 1.126 . . . . 0.0 110.993 -179.989 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 N-CA-C 110.963 -0.855 . . . . 0.0 110.963 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 34.2 t -176.05 -58.81 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.468 0.746 . . . . 0.0 110.034 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.9 p -88.14 163.99 15.91 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.528 1.143 . . . . 0.0 109.984 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.12 130.4 18.84 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.5 1.125 . . . . 0.0 110.977 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.5 p -123.88 125.56 44.86 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.508 0.769 . . . . 0.0 110.012 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.3 t -113.49 -58.04 2.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.566 1.166 . . . . 0.0 110.055 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 57.45 164.36 0.06 OUTLIER Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.484 1.115 . . . . 0.0 110.968 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.65 -55.38 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 0.753 . . . . 0.0 110.983 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . 0.407 ' O ' ' O ' ' A' ' 10' ' ' GLN . 0.1 OUTLIER 173.73 143.44 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.125 . . . . 0.0 110.02 -179.985 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.407 ' O ' ' O ' ' A' ' 9' ' ' SER . 31.9 mt-30 -48.06 -97.81 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.479 1.112 . . . . 0.0 110.351 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.403 ' C ' ' O ' ' A' ' 10' ' ' GLN . 49.3 mt -40.09 121.05 1.27 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.134 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 114.96 -76.25 0.25 Allowed Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.547 1.154 . . . . 0.0 110.984 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 76.6 p -40.57 135.21 1.61 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.426 0.721 . . . . 0.0 110.02 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 3.6 mtt85 -87.52 157.89 19.06 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.262 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.453 ' HA3' ' CZ2' ' A' ' 113' ' ' TRP . . . -57.45 173.65 2.32 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.477 1.111 . . . . 0.0 111.0 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 21.8 mmt85 -141.11 129.28 22.15 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 0.77 . . . . 0.0 110.257 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.8 mt -81.15 144.6 31.54 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.113 . . . . 0.0 109.304 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.6 p-90 -166.96 158.45 12.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.464 1.102 . . . . 0.0 108.035 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.498 ' HG ' HD21 ' A' ' 31' ' ' LEU . 14.2 mt -98.92 143.64 29.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.448 1.093 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 4.8 tt0 -111.36 101.79 10.22 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.12 . . . . 0.0 110.327 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -72.82 148.36 89.58 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.493 1.121 . . . . 0.0 110.006 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 163.18 35.97 Favored 'Trans proline' 0 C--N 1.361 1.196 0 O-C-N 124.49 1.784 . . . . 0.0 111.054 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 24.9 m -40.77 156.58 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.432 1.083 . . . . 0.0 110.388 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 56.34 49.77 66.58 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.511 1.132 . . . . 0.0 110.987 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -152.03 -173.86 22.1 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 173.59 14.26 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.465 1.771 . . . . 0.0 110.985 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 173.62 14.19 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.525 1.802 . . . . 0.0 110.985 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 111.72 3.39 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.45 1.763 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.8 mp -83.87 145.27 8.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.463 1.102 . . . . 0.0 109.309 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 32.9 m-85 -103.92 109.89 21.82 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.484 1.115 . . . . 0.0 111.042 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.87 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 2.3 mt -60.01 159.56 20.19 Favored Pre-proline 0 C--N 1.324 -0.504 0 O-C-N 124.502 1.127 . . . . 0.0 109.327 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 125.04 9.06 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.537 1.809 . . . . 0.0 111.013 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 3.3 m -81.18 -29.39 34.63 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 109.999 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 54.9 t0 -47.82 -26.93 1.82 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 109.333 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 119.97 -9.69 11.27 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.546 1.154 . . . . 0.0 111.007 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . . . . . . . . . 7.3 mt-30 -48.14 175.24 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.531 0.783 . . . . 0.0 110.298 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.716 ' HB1' ' CG ' ' A' ' 59' ' ' GLU . . . -123.81 118.84 28.06 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 109.323 179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.459 HD12 ' HA ' ' A' ' 38' ' ' LEU . 11.1 tp -93.16 106.36 18.33 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.474 1.109 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.588 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.7 t -76.53 122.46 30.88 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.733 HD23 HD11 ' A' ' 102' ' ' LEU . 1.0 OUTLIER -96.44 174.07 7.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.533 1.146 . . . . 0.0 109.333 179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 145.13 -155.07 26.31 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 -179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 7.3 mtp180 -69.7 139.48 53.42 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.52 0.776 . . . . 0.0 110.331 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 143.88 -174.9 24.07 Favored Glycine 0 CA--C 1.53 1.007 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 -7.65 19.39 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.447 1.761 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.4 mp -56.06 -60.58 3.28 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.445 1.09 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.419 ' OG1' HG23 ' A' ' 48' ' ' VAL . 28.1 p -112.57 6.21 18.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.482 1.114 . . . . 0.0 110.42 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.3 mt-30 65.66 14.92 9.8 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.319 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.426 HG11 ' SG ' ' A' ' 53' ' ' CYS . 25.2 t -75.9 132.09 33.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 109.337 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 45.9 p -131.8 27.53 4.61 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.441 1.088 . . . . 0.0 110.429 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 67.5 t0 -88.49 129.86 35.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.227 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.74 -45.44 78.01 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.45 1.094 . . . . 0.0 110.32 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 19.3 mttt -48.22 -30.32 4.59 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.52 1.138 . . . . 0.0 109.296 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.478 ' SG ' HD22 ' A' ' 102' ' ' LEU . 0.1 OUTLIER -76.97 150.95 35.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.519 1.137 . . . . 0.0 108.31 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.448 ' O ' ' N ' ' A' ' 56' ' ' ASN . 0.3 OUTLIER -126.87 136.38 52.26 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.488 1.117 . . . . 0.0 110.031 179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -38.43 -30.48 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 110.289 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.588 ' HA ' HG13 ' A' ' 39' ' ' VAL . 2.4 m120 -130.52 62.31 1.59 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.451 1.094 . . . . 0.0 109.344 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.75 ' HG3' HG13 ' A' ' 58' ' ' VAL . 34.6 tp60 -67.28 -58.12 5.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.317 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.75 HG13 ' HG3' ' A' ' 57' ' ' GLN . 20.5 m -136.9 163.45 32.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.466 1.104 . . . . 0.0 109.314 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 1.017 ' HB2' HD11 ' A' ' 74' ' ' LEU . 15.9 tt0 -115.51 113.55 23.81 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.498 1.124 . . . . 0.0 110.326 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.821 HD21 HD23 ' A' ' 100' ' ' LEU . 0.6 OUTLIER -94.09 138.73 31.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.44 1.088 . . . . 0.0 109.288 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.619 ' O ' HG13 ' A' ' 69' ' ' VAL . 21.5 mt -138.96 116.66 11.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.492 1.12 . . . . 0.0 109.286 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.87 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.54 128.47 35.64 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -123.11 90.29 50.45 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.487 1.117 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.33 9.04 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.515 1.797 . . . . 0.0 111.041 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -70.62 -41.3 72.41 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 110.316 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.419 ' O ' HG23 ' A' ' 68' ' ' THR . 58.4 m -133.26 23.13 4.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.976 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . . . . . . . . . 4.0 mpp_? 52.62 43.63 30.99 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.548 1.155 . . . . 0.0 110.317 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.419 HG23 ' O ' ' A' ' 66' ' ' SER . 2.3 p -126.83 174.17 9.0 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.42 1.075 . . . . 0.0 110.427 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.619 HG13 ' O ' ' A' ' 61' ' ' ILE . 48.3 t -142.8 143.02 25.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.456 1.098 . . . . 0.0 109.259 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -99.15 144.8 27.88 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.138 . . . . 0.0 109.288 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.64 HG21 HD22 ' A' ' 100' ' ' LEU . 24.0 t -136.17 112.12 12.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.2 ttpp -113.25 126.77 55.77 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.557 1.161 . . . . 0.0 109.344 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.503 ' CD ' ' HA ' ' A' ' 88' ' ' PRO . 1.4 tm0? -72.64 125.08 26.61 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.476 1.11 . . . . 0.0 110.296 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 1.017 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -123.58 -5.01 8.19 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.515 1.134 . . . . 0.0 109.299 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . 0.479 ' N ' ' OE1' ' A' ' 73' ' ' GLN . . . -93.18 -150.24 26.32 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.471 1.107 . . . . 0.0 110.986 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 2.1 p -117.63 -47.87 3.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.522 0.778 . . . . 0.0 109.312 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 61.9 m-80 -66.3 140.88 96.98 Favored Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.498 1.124 . . . . 0.0 109.313 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 116.27 4.54 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.483 1.781 . . . . 0.0 111.032 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.7 m -85.95 150.77 24.27 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.456 1.097 . . . . 0.0 110.032 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 15.9 m -102.21 117.29 34.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 110.371 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.894 HG13 ' CD2' ' A' ' 94' ' ' LEU . 4.2 t -99.97 75.02 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.513 1.133 . . . . 0.0 109.327 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 93.6 -96.04 2.04 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.483 1.115 . . . . 0.0 110.973 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 8.7 p -123.77 13.71 5.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.516 0.774 . . . . 0.0 109.267 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 23.6 tt0 -124.4 141.94 51.68 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.424 1.077 . . . . 0.0 110.321 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -96.73 123.9 40.55 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.504 1.127 . . . . 0.0 110.278 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -81.31 -171.74 3.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.533 1.146 . . . . 0.0 109.298 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.418 ' O ' ' HB3' ' A' ' 73' ' ' GLN . 0.5 OUTLIER -149.34 171.37 6.39 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.286 179.984 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.503 ' HA ' ' CD ' ' A' ' 73' ' ' GLN . 18.2 Cg_endo -75.06 87.56 1.32 Allowed 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.491 1.785 . . . . 0.0 110.984 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 126.1 1.01 7.48 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.45 1.094 . . . . 0.0 111.003 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 90' ' ' LEU . 5.4 tp -88.62 -177.32 5.54 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 0.778 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -157.89 134.31 9.61 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.554 1.159 . . . . 0.0 109.984 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -136.12 -174.89 13.54 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.534 1.146 . . . . 0.0 110.96 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 17.8 p -133.92 153.38 51.8 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.469 0.747 . . . . 0.0 109.981 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.894 ' CD2' HG13 ' A' ' 81' ' ' VAL . 2.9 mm? -114.4 145.06 42.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.455 1.097 . . . . 0.0 109.32 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.477 ' CB ' ' OD2' ' A' ' 98' ' ' ASP . 1.4 m -110.99 171.41 7.48 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.547 1.154 . . . . 0.0 109.974 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.572 HD21 ' CB ' ' A' ' 113' ' ' TRP . 5.6 mt -68.37 116.0 8.44 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.526 1.141 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 100.01 -19.51 52.84 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.515 1.134 . . . . 0.0 111.017 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . 0.477 ' OD2' ' CB ' ' A' ' 95' ' ' SER . 84.7 m-20 -63.94 158.92 21.05 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.489 0.758 . . . . 0.0 109.319 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.574 HG13 ' HB2' ' A' ' 108' ' ' PRO . 70.5 t -111.0 151.77 13.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.512 1.132 . . . . 0.0 109.284 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.821 HD23 HD21 ' A' ' 60' ' ' LEU . 12.1 tp -132.13 84.47 2.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.275 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.45 ' O ' ' C ' ' A' ' 102' ' ' LEU . 89.6 m-85 -60.52 98.68 0.07 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.543 1.152 . . . . 0.0 110.986 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.733 HD11 HD23 ' A' ' 40' ' ' LEU . 0.0 OUTLIER -36.02 -58.55 0.65 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.599 HG22 ' H ' ' A' ' 104' ' ' ASN . 8.2 p -164.18 174.01 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.513 1.133 . . . . 0.0 109.268 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.599 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.5 OUTLIER 43.62 33.9 0.74 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.555 1.16 . . . . 0.0 109.296 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 49.51 21.09 2.92 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.486 1.116 . . . . 0.0 110.984 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . . . . . . . . . 70.3 mt -119.52 -171.34 2.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 0.749 . . . . 0.0 109.273 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.451 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 3.9 m-85 43.19 61.46 9.8 Favored Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.476 1.11 . . . . 0.0 110.982 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.65 ' C ' HD22 ' A' ' 109' ' ' LEU . 18.2 Cg_endo -74.98 145.36 31.42 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.553 1.817 . . . . 0.0 111.02 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.65 HD22 ' C ' ' A' ' 108' ' ' PRO . 4.1 mm? -122.28 82.52 1.98 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.446 1.091 . . . . 0.0 109.315 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 31.7 m -60.05 135.38 57.69 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.489 1.118 . . . . 0.0 110.401 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.582 HD12 ' H ' ' A' ' 112' ' ' ARG . 29.1 tp -89.1 141.31 28.61 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.582 ' H ' HD12 ' A' ' 111' ' ' LEU . 24.3 mmt180 -143.65 149.94 38.01 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.45 1.094 . . . . 0.0 110.329 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.572 ' CB ' HD21 ' A' ' 96' ' ' LEU . 0.1 OUTLIER -126.63 132.95 51.12 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 108.017 -1.105 . . . . 0.0 108.017 179.96 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 5.4 t -81.77 144.49 31.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 110.03 179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -160.54 -150.47 5.89 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.519 1.137 . . . . 0.0 110.997 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 75.41 3.69 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.487 1.783 . . . . 0.0 110.988 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -144.9 -57.58 0.35 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.532 1.145 . . . . 0.0 109.958 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -104.57 154.09 20.36 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.499 1.124 . . . . 0.0 110.012 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 O-C-N 124.532 1.145 . . . . 0.0 110.998 179.994 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.968 0 N-CA-C 111.013 -0.835 . . . . 0.0 111.013 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.1 p -165.05 131.9 2.93 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 0.744 . . . . 0.0 109.954 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -120.03 110.23 16.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.549 1.156 . . . . 0.0 109.97 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.6 80.82 0.19 Allowed Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.514 1.134 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.2 p -85.28 126.51 33.77 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.512 0.772 . . . . 0.0 109.976 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.2 p -157.36 92.17 1.22 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.977 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -148.76 89.97 0.14 Allowed Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.515 1.134 . . . . 0.0 110.986 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -80.25 109.29 14.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 0.765 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 12.6 p -170.25 119.0 0.57 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.095 . . . . 0.0 109.991 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -178.61 127.13 0.11 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.471 1.107 . . . . 0.0 110.278 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 5.7 mt -75.42 -58.25 3.39 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.541 1.15 . . . . 0.0 109.301 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 156.64 -149.59 20.48 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.49 1.119 . . . . 0.0 110.979 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -117.49 151.2 37.59 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.456 0.739 . . . . 0.0 110.02 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 2.3 mmp_? -80.68 -4.83 55.77 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.309 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.509 ' HA3' ' CE2' ' A' ' 113' ' ' TRP . . . 179.14 176.95 47.31 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.542 1.151 . . . . 0.0 110.997 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 4.0 mmm180 -149.38 130.44 14.42 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.55 0.794 . . . . 0.0 110.336 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.421 HD22 HD11 ' A' ' 111' ' ' LEU . 4.3 mt -83.86 139.85 32.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 56.7 p-90 -165.18 151.09 9.78 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 108.023 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.778 HD22 HD21 ' A' ' 31' ' ' LEU . 0.5 OUTLIER -89.78 145.88 24.87 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 49.4 tt0 -122.38 103.79 8.97 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.115 . . . . 0.0 110.336 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -89.23 132.85 36.38 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.557 1.16 . . . . 0.0 109.978 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.457 ' O ' ' C ' ' A' ' 23' ' ' THR . 18.1 Cg_endo -75.07 123.95 8.22 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.484 1.781 . . . . 0.0 110.976 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.678 HG22 ' O ' ' A' ' 23' ' ' THR . 4.8 m 33.67 37.07 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.49 1.119 . . . . 0.0 110.395 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . 0.455 ' N ' ' O ' ' A' ' 22' ' ' PRO . . . -71.52 -54.34 8.83 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 111.006 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . 0.552 ' N ' ' CD ' ' A' ' 26' ' ' PRO . . . 133.61 -48.13 0.97 Allowed Glycine 0 CA--C 1.529 0.965 0 N-CA-C 111.029 -0.828 . . . . 0.0 111.029 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . 0.552 ' CD ' ' N ' ' A' ' 25' ' ' GLY . 18.3 Cg_endo -75.06 154.66 42.39 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.487 1.783 . . . . 0.0 111.013 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 173.5 14.4 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.493 1.786 . . . . 0.0 110.99 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 112.92 3.68 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.535 1.808 . . . . 0.0 110.957 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.606 HD11 ' O ' ' A' ' 45' ' ' LEU . 2.0 mp -76.69 122.93 32.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.505 1.128 . . . . 0.0 109.31 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 39.3 m-85 -90.6 103.91 16.55 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.126 . . . . 0.0 110.971 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.897 ' HB2' ' HB2' ' A' ' 62' ' ' ALA . 1.0 OUTLIER -55.35 161.71 2.66 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.459 1.099 . . . . 0.0 109.291 179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.697 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.2 Cg_endo -75.08 169.65 22.11 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.511 1.795 . . . . 0.0 110.999 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 70.4 p -113.72 -24.83 8.96 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.521 1.138 . . . . 0.0 109.996 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' A' ' 36' ' ' GLN . 1.5 m-20 -75.77 54.79 0.82 Allowed 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.504 1.127 . . . . 0.0 109.312 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 34' ' ' ASP . . . 32.65 37.63 0.05 OUTLIER Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.501 1.126 . . . . 0.0 111.015 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.526 ' O ' HG23 ' A' ' 61' ' ' ILE . 0.2 OUTLIER -83.76 176.09 9.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.476 0.75 . . . . 0.0 110.262 -179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.765 ' HB1' ' HG2' ' A' ' 59' ' ' GLU . . . -126.21 121.21 32.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.406 HD12 ' HA ' ' A' ' 38' ' ' LEU . 11.3 tp -100.06 107.98 20.04 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 109.284 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.703 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.8 t -73.43 129.78 36.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.45 1.094 . . . . 0.0 109.307 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.646 HD12 HD13 ' A' ' 60' ' ' LEU . 14.3 mt -109.57 173.19 6.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.152 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . . . . . . . . . . . 141.91 -155.04 25.24 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.525 1.141 . . . . 0.0 111.001 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . . . . . . . . . 9.0 mtp180 -56.49 147.74 21.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.44 0.73 . . . . 0.0 110.347 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.39 -178.09 18.07 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.497 1.123 . . . . 0.0 111.004 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -75.0 -6.25 17.82 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.473 1.775 . . . . 0.0 110.985 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.606 ' O ' HD11 ' A' ' 29' ' ' ILE . 0.4 OUTLIER -55.19 -62.19 1.83 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.501 1.125 . . . . 0.0 109.294 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . . . . . . . . . 81.9 p -112.81 10.47 19.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.111 . . . . 0.0 110.39 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 4.6 mm-40 61.02 23.42 13.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.489 1.118 . . . . 0.0 110.284 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 32.3 t -83.95 127.29 39.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.483 1.114 . . . . 0.0 109.31 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 81.6 p -123.43 7.82 9.0 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.541 1.151 . . . . 0.0 110.406 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 16.3 t0 -70.23 133.42 47.02 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.506 1.129 . . . . 0.0 109.32 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.46 -32.39 73.98 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.543 1.152 . . . . 0.0 110.296 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . . . . . . . . . 6.5 mmtt -60.71 -15.58 30.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.264 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.402 ' SG ' HD22 ' A' ' 102' ' ' LEU . 0.0 OUTLIER -94.74 137.8 33.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.472 1.107 . . . . 0.0 108.3 179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.402 ' O ' ' C ' ' A' ' 55' ' ' ARG . 0.4 OUTLIER -113.83 141.55 47.18 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.529 1.143 . . . . 0.0 110.027 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 54' ' ' SER . 0.0 OUTLIER -38.8 -46.07 1.22 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.447 1.092 . . . . 0.0 110.288 -179.995 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.703 ' HA ' HG13 ' A' ' 39' ' ' VAL . 4.3 p30 -113.0 58.42 0.65 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.332 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . 0.694 ' HG3' HG13 ' A' ' 58' ' ' VAL . 36.2 tp60 -64.13 -53.0 56.36 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.525 1.141 . . . . 0.0 110.268 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.694 HG13 ' HG3' ' A' ' 57' ' ' GLN . 14.3 m -140.67 159.34 24.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.306 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.989 ' HB2' HD11 ' A' ' 74' ' ' LEU . 19.3 tt0 -112.18 118.01 34.15 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.528 1.143 . . . . 0.0 110.284 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.646 HD13 HD12 ' A' ' 40' ' ' LEU . 1.7 mp -103.08 132.78 49.09 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.532 1.145 . . . . 0.0 109.336 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.526 HG23 ' O ' ' A' ' 36' ' ' GLN . 8.3 mt -129.97 121.37 51.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.492 1.12 . . . . 0.0 109.29 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.897 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.88 135.4 41.52 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -131.86 84.74 53.19 Favored Pre-proline 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 109.294 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 0.82 8.44 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.517 1.798 . . . . 0.0 110.999 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -74.8 -30.38 61.39 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.482 1.114 . . . . 0.0 110.308 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . . . . . . . . . 10.7 m -143.31 16.88 1.88 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.504 1.128 . . . . 0.0 109.953 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.467 ' HG2' ' CE3' ' A' ' 113' ' ' TRP . 1.2 mtt180 55.14 48.51 19.4 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 110.3 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.454 ' C ' HG23 ' A' ' 69' ' ' VAL . 2.9 p -124.95 177.36 6.08 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.454 1.097 . . . . 0.0 110.364 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.561 HG23 HD21 ' A' ' 111' ' ' LEU . 84.5 t -153.95 131.52 2.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . . . . . . . . . . . -93.69 144.76 25.11 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.139 . . . . 0.0 109.297 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.758 HG21 HD13 ' A' ' 94' ' ' LEU . 76.8 t -128.76 116.51 41.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.448 1.093 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.412 ' O ' ' N ' ' A' ' 59' ' ' GLU . 8.5 ttpt -122.58 120.66 34.44 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.494 1.121 . . . . 0.0 109.325 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.419 ' HG2' ' HA ' ' A' ' 88' ' ' PRO . 31.0 tt0 -79.99 118.85 22.09 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.368 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.989 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.1 OUTLIER -115.4 6.08 14.72 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.3 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -97.38 -145.25 18.75 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.503 1.127 . . . . 0.0 110.985 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -119.28 -50.19 3.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.536 0.786 . . . . 0.0 109.3 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.7 m120 -61.27 137.63 94.43 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.552 1.158 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 126.79 10.21 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.496 1.787 . . . . 0.0 111.056 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 5.5 m -97.73 159.17 15.09 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.479 1.112 . . . . 0.0 110.023 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . . . . . . . . . 89.2 m -119.81 123.88 44.77 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.393 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.871 HG22 HD13 ' A' ' 100' ' ' LEU . 13.2 t -103.32 83.65 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.5 1.125 . . . . 0.0 109.226 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . . . . . . . . . . . 94.52 -96.41 2.03 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.523 1.14 . . . . 0.0 110.981 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.6 p -130.17 15.93 2.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.501 0.765 . . . . 0.0 109.312 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . . . . . . . . . 19.7 tt0 -124.93 136.86 54.15 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.517 1.135 . . . . 0.0 110.275 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -84.19 145.08 28.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.512 1.133 . . . . 0.0 110.325 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.448 HD23 ' HA ' ' A' ' 86' ' ' LEU . 12.4 mt -104.75 -172.38 2.09 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.534 1.146 . . . . 0.0 109.277 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . 0.474 ' HB2' HD22 ' A' ' 90' ' ' LEU . 6.7 mttt -142.97 172.67 5.39 Favored Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.132 . . . . 0.0 109.283 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.419 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.1 Cg_endo -75.03 113.94 3.91 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.475 1.776 . . . . 0.0 110.975 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 95.32 1.18 62.67 Favored Glycine 0 CA--C 1.53 1.019 0 O-C-N 124.539 1.149 . . . . 0.0 110.967 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.474 HD22 ' HB2' ' A' ' 87' ' ' LYS . 5.5 tp -83.44 179.85 7.55 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 109.319 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' A' ' 71' ' ' VAL . 0.0 OUTLIER -156.66 134.93 11.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.517 1.135 . . . . 0.0 109.961 179.974 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -131.73 -167.83 11.97 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.504 1.128 . . . . 0.0 110.954 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 36.1 p -133.18 153.94 51.08 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.514 0.773 . . . . 0.0 109.975 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.764 ' CD1' HG13 ' A' ' 81' ' ' VAL . 0.0 OUTLIER -130.33 129.85 43.7 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.491 1.12 . . . . 0.0 109.281 -179.983 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.8 p -98.89 160.62 14.13 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.512 1.132 . . . . 0.0 110.02 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.523 HD21 ' CB ' ' A' ' 113' ' ' TRP . 3.7 mt -53.3 107.97 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.495 1.122 . . . . 0.0 109.303 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 115.89 -37.94 3.25 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.53 1.144 . . . . 0.0 111.006 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 32.7 m-20 -48.22 149.44 1.5 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 0.734 . . . . 0.0 109.305 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.496 ' CG1' ' CB ' ' A' ' 108' ' ' PRO . 61.8 t -99.55 165.38 2.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.871 HD13 HG22 ' A' ' 81' ' ' VAL . 55.6 tp -145.51 84.91 1.7 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.451 1.094 . . . . 0.0 109.288 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.431 ' O ' ' C ' ' A' ' 102' ' ' LEU . 97.8 m-85 -61.28 99.92 0.11 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.541 1.151 . . . . 0.0 110.977 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.632 HD12 ' CD2' ' A' ' 109' ' ' LEU . 0.0 OUTLIER -38.01 -58.43 0.95 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.981 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.573 HG22 ' H ' ' A' ' 104' ' ' ASN . 8.9 p -163.54 173.02 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.48 1.113 . . . . 0.0 109.273 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.573 ' H ' HG22 ' A' ' 103' ' ' VAL . 0.5 OUTLIER 44.56 35.66 1.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.293 -179.988 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 46.48 22.61 1.07 Allowed Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.483 1.115 . . . . 0.0 111.002 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.4 ' N ' ' C ' ' A' ' 104' ' ' ASN . 49.5 mt -118.46 -170.78 1.96 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.526 0.78 . . . . 0.0 109.283 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.468 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 3.3 m-85 43.41 60.09 11.28 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.489 1.118 . . . . 0.0 110.979 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.496 ' CB ' ' CG1' ' A' ' 99' ' ' VAL . 18.2 Cg_endo -74.96 132.02 15.0 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.523 1.802 . . . . 0.0 110.989 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.632 ' CD2' HD12 ' A' ' 102' ' ' LEU . 3.9 mm? -110.58 110.6 21.37 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.439 1.087 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . 0.406 ' O ' ' HA ' ' A' ' 19' ' ' LEU . 76.9 m -80.92 130.15 34.89 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 110.402 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.561 HD21 HG23 ' A' ' 69' ' ' VAL . 49.9 tp -81.12 122.06 26.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.555 1.16 . . . . 0.0 109.307 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . . . . . . . . . 29.3 mmt180 -120.99 162.0 20.66 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.435 1.084 . . . . 0.0 110.286 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.523 ' CB ' HD21 ' A' ' 96' ' ' LEU . 3.4 t-105 -133.79 131.26 39.11 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 108.037 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.402 ' O ' ' CD1' ' A' ' 113' ' ' TRP . 12.5 t -78.18 142.99 37.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.992 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -154.35 143.13 9.69 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.1 142.94 28.16 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.498 1.788 . . . . 0.0 110.966 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 34.6 p -169.6 -65.81 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.022 -179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 16.3 t 64.47 113.56 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.536 1.147 . . . . 0.0 109.988 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.002 0 O-C-N 124.512 1.132 . . . . 0.0 111.019 -179.988 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.7 t -106.96 83.85 1.89 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 0.76 . . . . 0.0 109.994 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 98.8 p -85.84 129.72 34.75 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 110.032 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -164.34 107.7 0.31 Allowed Glycine 0 CA--C 1.531 1.039 0 O-C-N 124.532 1.145 . . . . 0.0 111.002 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.2 t -69.48 138.29 53.3 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.767 . . . . 0.0 109.986 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.99 107.26 3.89 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.549 1.156 . . . . 0.0 109.996 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 137.38 -117.53 1.54 Allowed Glycine 0 CA--C 1.529 0.943 0 O-C-N 124.524 1.14 . . . . 0.0 111.034 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.45 126.52 27.77 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.465 0.744 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.18 129.79 34.73 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 110.003 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -78.34 80.71 4.73 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 3.0 mt -60.05 111.72 1.61 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.493 1.121 . . . . 0.0 109.267 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLY . . . . . . . . . . . . . . . 152.69 61.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.532 1.145 . . . . 0.0 110.964 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 33.4 t -67.24 129.5 40.09 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.501 0.766 . . . . 0.0 109.975 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ARG . . . . . . . . . . . . . 7.1 mtm105 -102.31 170.05 8.32 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 110.339 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.561 ' HA3' ' CZ2' ' A' ' 113' ' ' TRP . . . -38.15 157.71 0.01 OUTLIER Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.528 1.143 . . . . 0.0 110.961 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 22.6 ptt180 -150.89 139.53 20.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 0.773 . . . . 0.0 110.294 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.64 154.85 28.39 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.145 . . . . 0.0 109.241 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TRP . . . . . . . . . . . . . 53.0 p-90 -162.49 160.88 26.69 Favored 'General case' 0 C--N 1.325 -0.468 0 N-CA-C 108.014 -1.106 . . . . 0.0 108.014 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.923 ' CD2' HD21 ' A' ' 31' ' ' LEU . 0.4 OUTLIER -98.02 140.42 32.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.452 1.095 . . . . 0.0 109.297 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLN . . . . . . . . . . . . . 52.2 tt0 -108.32 96.35 6.3 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.456 1.097 . . . . 0.0 110.281 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -67.36 146.34 98.75 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.474 1.109 . . . . 0.0 110.02 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PRO . . . . . 0.401 ' O ' ' O ' ' A' ' 23' ' ' THR . 18.3 Cg_endo -74.95 162.19 37.66 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.465 1.771 . . . . 0.0 110.994 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 22' ' ' PRO . 9.1 t -41.31 162.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.463 1.102 . . . . 0.0 110.425 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLY . . . . . . . . . . . . . . . 52.35 36.64 46.48 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.537 1.148 . . . . 0.0 111.01 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -138.6 -173.59 13.05 Favored Glycine 0 CA--C 1.53 0.999 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 173.67 14.1 Favored 'Trans proline' 0 C--N 1.36 1.178 0 O-C-N 124.492 1.785 . . . . 0.0 110.986 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 173.93 13.67 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.452 1.764 . . . . 0.0 111.006 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 116.7 4.66 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.531 1.806 . . . . 0.0 110.972 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.9 mp -89.11 140.39 15.89 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PHE . . . . . . . . . . . . . 30.3 m-85 -107.29 123.67 48.67 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.503 1.127 . . . . 0.0 110.939 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' LEU . . . . . 0.923 HD21 ' CD2' ' A' ' 19' ' ' LEU . 0.8 OUTLIER -77.69 164.01 60.22 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.118 . . . . 0.0 109.288 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PRO . . . . . 0.587 ' O ' ' HB3' ' A' ' 62' ' ' ALA . 18.2 Cg_endo -74.99 148.24 35.04 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.504 1.792 . . . . 0.0 111.032 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.1 p -93.32 -35.09 13.24 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.494 1.121 . . . . 0.0 109.992 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -44.36 -32.8 1.44 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.421 1.076 . . . . 0.0 109.268 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 128.18 -2.28 6.72 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.518 1.136 . . . . 0.0 111.047 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLN . . . . . 0.418 ' HB2' ' CG ' ' A' ' 32' ' ' PRO . 16.5 mt-30 -52.83 172.83 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.534 0.784 . . . . 0.0 110.285 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . 0.786 ' HB1' ' HG2' ' A' ' 59' ' ' GLU . . . -124.0 124.52 42.74 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.502 1.126 . . . . 0.0 109.281 179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.446 HD12 ' HA ' ' A' ' 38' ' ' LEU . 7.5 tp -97.52 106.46 18.78 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.118 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.769 HG13 ' HA ' ' A' ' 56' ' ' ASN . 1.8 t -71.27 132.67 33.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.463 1.102 . . . . 0.0 109.364 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.836 HD12 HD13 ' A' ' 60' ' ' LEU . 15.0 mt -120.26 154.36 35.04 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 109.282 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' GLY . . . . . 0.457 ' HA2' ' CD2' ' A' ' 102' ' ' LEU . . . 162.19 -142.74 8.18 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.473 1.108 . . . . 0.0 111.04 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ARG . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 42' ' ' ARG . 0.7 OUTLIER -65.6 141.0 58.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.538 0.787 . . . . 0.0 110.284 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' GLY . . . . . . . . . . . . . . . 131.69 -170.88 21.44 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.504 1.128 . . . . 0.0 111.027 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.0 -1.75 11.63 Favored 'Trans proline' 0 C--N 1.359 1.129 0 O-C-N 124.543 1.812 . . . . 0.0 110.995 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -59.06 -62.04 2.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.522 1.139 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' THR . . . . . 0.598 HG21 HD11 ' A' ' 102' ' ' LEU . 68.5 p -119.16 12.68 12.72 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 110.368 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLN . . . . . . . . . . . . . 2.8 mm-40 65.52 11.49 7.46 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.497 1.123 . . . . 0.0 110.273 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.565 HG11 ' SG ' ' A' ' 53' ' ' CYS . 13.1 t -73.18 126.59 34.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.316 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.432 ' O ' ' OG1' ' A' ' 49' ' ' THR . 1.4 t -132.81 38.9 3.36 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.507 1.129 . . . . 0.0 110.429 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -103.22 131.02 50.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.488 1.118 . . . . 0.0 109.311 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ARG . . . . . . . . . . . . . 3.7 mtm105 -55.24 -40.65 71.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LYS . . . . . 0.449 ' O ' ' ND2' ' A' ' 77' ' ' ASN . 7.8 mmtm -52.04 -30.92 27.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.512 1.133 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . 0.565 ' SG ' HG11 ' A' ' 48' ' ' VAL . 0.0 OUTLIER -77.38 173.84 11.48 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.432 1.083 . . . . 0.0 108.288 -179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' SER . . . . . 0.436 ' O ' ' N ' ' A' ' 56' ' ' ASN . 0.2 OUTLIER -151.98 136.5 16.89 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.535 1.147 . . . . 0.0 110.019 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ARG . . . . . 0.457 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 0.7 OUTLIER -37.69 -32.22 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.496 1.122 . . . . 0.0 110.333 179.998 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ASN . . . . . 0.769 ' HA ' HG13 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -123.07 59.8 1.06 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.545 1.153 . . . . 0.0 109.309 179.984 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -69.22 -35.87 76.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.498 1.124 . . . . 0.0 110.27 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -151.02 169.19 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.5 1.125 . . . . 0.0 109.321 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLU . . . . . 0.786 ' HG2' ' HB1' ' A' ' 37' ' ' ALA . 4.1 tt0 -123.65 100.13 6.64 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.527 1.142 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LEU . . . . . 0.836 HD13 HD12 ' A' ' 40' ' ' LEU . 0.7 OUTLIER -83.75 135.83 34.4 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.519 1.137 . . . . 0.0 109.302 -179.993 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ILE . . . . . 0.601 ' O ' HG13 ' A' ' 69' ' ' VAL . 4.7 mt -136.64 119.67 21.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.539 1.15 . . . . 0.0 109.288 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . 0.864 ' HB2' ' HB2' ' A' ' 31' ' ' LEU . . . -74.08 115.08 13.15 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 109.316 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ASP . . . . . 0.433 ' OD1' HG22 ' A' ' 61' ' ' ILE . 0.6 OUTLIER -116.67 86.09 18.16 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 179.982 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 0.88 8.4 Favored 'Trans proline' 0 C--N 1.361 1.197 0 O-C-N 124.501 1.79 . . . . 0.0 110.952 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -41.48 -28.68 0.13 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.522 1.139 . . . . 0.0 110.306 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' SER . . . . . 0.551 ' O ' ' CB ' ' A' ' 67' ' ' ARG . 0.4 OUTLIER -162.91 -47.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.49 1.119 . . . . 0.0 110.052 179.947 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ARG . . . . . 0.551 ' CB ' ' O ' ' A' ' 66' ' ' SER . 0.0 OUTLIER 154.28 70.13 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 110.3 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.469 HG23 ' C ' ' A' ' 67' ' ' ARG . 40.0 p -154.48 177.76 10.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.516 1.135 . . . . 0.0 110.393 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' VAL . . . . . 0.601 HG13 ' O ' ' A' ' 61' ' ' ILE . 69.1 t -154.82 138.84 8.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.429 1.081 . . . . 0.0 109.299 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ALA . . . . . 0.528 ' HB3' ' HB ' ' A' ' 61' ' ' ILE . . . -91.02 146.01 24.22 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.474 1.109 . . . . 0.0 109.312 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' VAL . . . . . 0.855 HG21 HD13 ' A' ' 94' ' ' LEU . 82.2 t -137.27 103.78 3.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.453 1.096 . . . . 0.0 109.352 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 59' ' ' GLU . 1.2 ttmp? -107.44 123.36 48.27 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.425 ' HG2' ' HA ' ' A' ' 88' ' ' PRO . 35.6 tt0 -79.24 108.31 12.65 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.507 1.129 . . . . 0.0 110.328 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.519 HD11 ' HB2' ' A' ' 59' ' ' GLU . 0.2 OUTLIER -99.93 -3.19 32.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.471 1.107 . . . . 0.0 109.276 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLY . . . . . . . . . . . . . . . -87.77 -142.62 7.98 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.489 1.118 . . . . 0.0 110.95 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 1.0 OUTLIER -125.91 -52.71 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.533 0.784 . . . . 0.0 109.3 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.485 ' HB3' HG23 ' A' ' 103' ' ' VAL . 37.9 m-80 -58.24 142.32 81.21 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.479 1.112 . . . . 0.0 109.316 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 126.17 9.81 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 110.996 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' SER . . . . . . . . . . . . . 13.4 t -98.13 157.94 15.85 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 110.001 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' THR . . . . . 0.406 ' HA ' ' O ' ' A' ' 84' ' ' GLN . 87.0 m -116.66 107.5 14.77 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.51 1.131 . . . . 0.0 110.399 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.844 HG13 ' CD1' ' A' ' 94' ' ' LEU . 5.0 t -89.57 74.1 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.329 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 99' ' ' VAL . . . 106.67 -98.02 1.29 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.529 1.143 . . . . 0.0 110.994 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 7.2 p -131.05 17.58 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.523 0.778 . . . . 0.0 109.296 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLN . . . . . 0.406 ' O ' ' HA ' ' A' ' 80' ' ' THR . 14.8 tt0 -124.78 140.87 52.54 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.466 1.104 . . . . 0.0 110.296 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.4 tt0 -86.38 136.2 33.22 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 110.264 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.41 HD23 ' HA ' ' A' ' 86' ' ' LEU . 12.7 mt -99.84 -172.66 2.28 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LYS . . . . . . . . . . . . . 8.6 mttt -141.06 169.58 11.19 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' PRO . . . . . 0.425 ' HA ' ' HG2' ' A' ' 73' ' ' GLN . 18.4 Cg_endo -75.05 98.24 1.15 Allowed 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.507 1.793 . . . . 0.0 111.021 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 113.66 2.67 24.05 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.5 1.125 . . . . 0.0 111.024 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.448 ' HA ' HD12 ' A' ' 90' ' ' LEU . 5.9 tp -87.2 178.66 6.81 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.486 0.757 . . . . 0.0 109.301 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -157.55 134.92 10.39 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.104 . . . . 0.0 109.985 -179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -134.74 -167.87 11.54 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.46 1.1 . . . . 0.0 110.964 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' SER . . . . . . . . . . . . . 49.2 m -126.25 143.93 50.97 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.497 0.763 . . . . 0.0 110.037 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' LEU . . . . . 0.855 HD13 HG21 ' A' ' 71' ' ' VAL . 0.0 OUTLIER -118.43 119.83 35.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 179.997 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.537 ' C ' HD23 ' A' ' 111' ' ' LEU . 3.1 m -86.46 164.78 16.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.501 1.125 . . . . 0.0 110.0 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.406 HD21 ' C ' ' A' ' 112' ' ' ARG . 9.8 mt -65.38 107.96 1.81 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.526 1.141 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLY . . . . . . . . . . . . . . . 119.36 -29.89 5.99 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.426 1.079 . . . . 0.0 110.966 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -53.19 171.78 0.07 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.46 0.741 . . . . 0.0 109.287 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' VAL . . . . . 0.454 ' O ' ' N ' ' A' ' 82' ' ' GLY . 19.2 t -121.62 149.91 24.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.449 1.093 . . . . 0.0 109.303 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.652 ' CD2' HD11 ' A' ' 60' ' ' LEU . 10.5 tp -128.7 86.74 2.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.323 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' TYR . . . . . 0.506 ' O ' ' C ' ' A' ' 102' ' ' LEU . 90.2 m-85 -62.64 96.07 0.08 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.555 1.159 . . . . 0.0 111.043 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' LEU . . . . . 0.761 HD12 HD11 ' A' ' 109' ' ' LEU . 0.0 OUTLIER -32.22 -59.38 0.3 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.528 1.142 . . . . 0.0 109.314 -179.979 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.543 HG22 ' N ' ' A' ' 104' ' ' ASN . 14.4 p -164.56 171.74 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.48 1.113 . . . . 0.0 109.266 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' ASN . . . . . 0.543 ' N ' HG22 ' A' ' 103' ' ' VAL . 0.5 OUTLIER 41.52 42.78 2.06 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 109.313 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLY . . . . . . . . . . . . . . . 40.18 26.4 0.11 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.515 1.135 . . . . 0.0 110.993 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' LEU . . . . . 0.455 ' N ' ' O ' ' A' ' 104' ' ' ASN . 28.6 mt -119.91 -170.2 1.92 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.5 0.764 . . . . 0.0 109.285 -179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' TYR . . . . . 0.493 ' N ' ' HD3' ' A' ' 108' ' ' PRO . 11.3 m-85 37.45 58.89 4.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.524 1.14 . . . . 0.0 111.032 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' PRO . . . . . 0.559 ' C ' HD12 ' A' ' 109' ' ' LEU . 18.3 Cg_endo -74.97 -178.4 4.14 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.5 1.789 . . . . 0.0 110.958 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.761 HD11 HD12 ' A' ' 102' ' ' LEU . 5.2 mp -153.08 173.16 15.82 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.353 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' THR . . . . . . . . . . . . . 91.4 m -133.33 103.42 5.96 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.55 1.156 . . . . 0.0 110.401 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LEU . . . . . 0.537 HD23 ' C ' ' A' ' 95' ' ' SER . 43.3 tp -60.31 130.84 48.62 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.481 1.113 . . . . 0.0 109.29 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' ARG . . . . . 0.406 ' C ' HD21 ' A' ' 96' ' ' LEU . 21.0 mmt180 -133.19 168.09 19.16 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.448 1.092 . . . . 0.0 110.303 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' TRP . . . . . 0.561 ' CZ2' ' HA3' ' A' ' 15' ' ' GLY . 0.3 OUTLIER -130.7 150.39 51.91 Favored 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 107.994 -1.113 . . . . 0.0 107.994 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . 0.443 ' O ' ' NE1' ' A' ' 113' ' ' TRP . 5.1 t -102.83 127.31 50.06 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.511 1.132 . . . . 0.0 109.962 -179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -108.8 -153.88 16.2 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.528 1.143 . . . . 0.0 111.011 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 92.75 0.97 Allowed 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.523 1.801 . . . . 0.0 111.027 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.52 131.51 0.13 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.477 1.111 . . . . 0.0 109.992 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 74.5 p -146.48 121.8 10.26 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.502 1.127 . . . . 0.0 110.056 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.966 0 O-C-N 124.45 1.094 . . . . 0.0 110.982 -179.983 . . . . . . . . 0 0 . 1 stop_ save_