data_2dn4_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 2dn4 _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 ' 8' ' ' LEU . . . . . . . . . . . . . 24.6 mt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.489 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 2.3 ttm180 -40.61 -57.64 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.342 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.16 -45.1 68.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -55.45 -48.1 75.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.405 HG22 ' CD2' ' A' ' 66' ' ' LEU . 51.2 t -70.69 -46.14 70.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.415 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 31.9 mt-10 -49.61 -48.41 49.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.451 1.095 . . . . 0.0 110.28 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -70.1 -34.63 73.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.459 HD23 ' CD1' ' A' ' 76' ' ' ILE . 3.5 tp -66.88 -58.63 4.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.348 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.451 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.6 m-30 -42.17 -57.04 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.415 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 4.2 mt-10 -60.15 -46.55 89.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -47.25 -63.46 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt -47.77 -54.14 13.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -54.55 -49.69 69.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 110.997 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -57.02 -39.53 74.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -61.25 -44.42 97.27 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.453 1.096 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.51 -19.37 36.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.4 pt -123.14 16.52 5.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 21' ' ' ALA . 4.3 mttm 41.36 58.57 2.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -106.03 121.05 43.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.58 1.175 . . . . 0.0 109.28 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.83 19.42 8.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -131.13 170.22 21.43 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.563 1.165 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 117.24 4.85 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.449 1.763 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.9 m -111.45 159.99 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.266 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.9 m -103.75 140.27 37.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.376 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 57.2 mt -97.83 114.22 64.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 114.11 3.95 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.719 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 12.0 m-85 -72.08 -36.18 3.96 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.608 1.193 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.719 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.2 Cg_endo -75.03 -63.42 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.525 1.802 . . . . 0.0 110.962 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 34.3 mt -40.48 -38.67 0.88 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.401 ' CD2' ' HE2' ' A' ' 55' ' ' PHE . 8.5 m-85 -79.78 -39.77 30.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 35' ' ' PRO . 1.8 tt0 -65.46 -45.28 84.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.04 -27.78 64.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.056 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -128.21 72.2 1.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.675 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.8 m -85.64 -9.53 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -89.59 -1.12 57.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -129.18 -53.48 1.19 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.5 mt -104.95 112.27 25.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.26 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.557 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 19.2 p90 -155.47 152.98 29.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.556 HG22 ' CE1' ' A' ' 55' ' ' PHE . 5.6 t -96.05 141.42 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.238 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -128.29 177.9 6.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.26 1.51 75.29 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.427 HD11 ' CG1' ' A' ' 46' ' ' VAL . 49.5 mt -68.94 154.79 94.6 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.557 0.798 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -173.45 1.57 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.426 1.75 . . . . 0.0 111.041 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -86.46 139.65 30.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 110.334 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.413 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 69.95 29.29 70.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.434 ' CG2' HD12 ' A' ' 69' ' ' ILE . 7.6 mt -150.27 95.67 3.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.42 ' O ' ' OH ' ' A' ' 61' ' ' TYR . 18.0 Cg_endo -75.07 -160.71 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.777 . . . . 0.0 110.939 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.556 ' CE1' HG22 ' A' ' 46' ' ' VAL . 18.9 t80 -109.66 91.52 3.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.444 ' N ' ' OH ' ' A' ' 61' ' ' TYR . 82.6 mmt-85 -143.53 165.78 26.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.282 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -37.89 125.51 0.99 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 110.254 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.467 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.99 1.56 7.6 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.472 1.775 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.489 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 84.0 p -88.73 8.52 28.38 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.509 1.131 . . . . 0.0 110.047 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.6 p -121.67 -40.38 2.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.434 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.467 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 13.4 m-85 -45.81 150.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.06 164.1 54.67 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.647 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.4 mp -56.19 -44.0 99.51 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.549 0.794 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.95 -31.85 5.96 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.479 1.778 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -39.05 91.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.253 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.405 ' CD2' HG22 ' A' ' 12' ' ' VAL . 56.8 mt -66.32 -54.15 28.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -39.63 -54.93 1.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.266 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' LEU . 5.2 mtp180 -52.75 -52.97 54.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.434 HD12 ' CG2' ' A' ' 53' ' ' ILE . 86.9 mt -49.88 -34.84 9.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 69.7 mt -77.46 -28.25 52.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 68' ' ' ARG . 66.5 mt -80.49 -16.68 53.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -103.84 -3.37 24.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.82 -40.22 9.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -56.47 -31.0 63.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 72' ' ' ALA . 2.1 mmm180 -96.83 -36.8 10.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.459 ' CD1' HD23 ' A' ' 15' ' ' LEU . 17.5 mt -38.68 142.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -161.63 148.33 14.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.327 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.495 ' CZ ' HG22 ' A' ' 46' ' ' VAL . 8.5 m-85 -114.31 113.27 24.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.557 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 36.8 t -95.52 115.72 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.7 mm -105.03 73.38 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.88 -60.31 3.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.371 1.044 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.468 HD21 ' CD1' ' A' ' 70' ' ' LEU . 32.1 mt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.477 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 1.1 ttm180 -47.2 -54.02 11.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.267 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -55.34 -41.93 73.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -59.1 -50.6 73.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.34 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 52.7 t -68.18 -42.36 84.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -51.26 -53.1 38.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -67.71 -40.13 84.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.273 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 tp -60.92 -58.08 9.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.621 1.201 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.486 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 1.9 m-30 -40.58 -57.5 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -55.21 -50.58 69.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.145 . . . . 0.0 110.33 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.66 -68.28 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -40.51 -60.99 0.99 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -51.81 -49.64 62.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.072 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -58.88 -39.53 81.71 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -65.59 -40.8 93.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.39 -17.86 60.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.6 pt -122.62 10.54 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 21' ' ' ALA . 2.2 mtmp? 46.35 62.57 2.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -112.59 122.72 48.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.247 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.46 24.32 4.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -136.21 170.22 23.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 116.87 4.72 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.395 1.734 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.9 m -111.17 165.12 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 95.6 m -103.37 145.54 29.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 110.383 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.486 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 38.3 mt -101.98 119.79 55.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.364 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.482 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.2 Cg_endo -74.98 107.83 2.58 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.446 1.761 . . . . 0.0 111.008 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.706 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 6.9 m-85 -80.45 -37.76 1.05 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 110.942 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.706 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.5 Cg_endo -74.95 -68.68 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.424 1.749 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 35' ' ' PRO . 41.5 mt -36.04 -51.24 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.367 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 2.0 m-85 -52.26 -50.77 61.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 35' ' ' PRO . 3.3 mm-40 -50.69 -37.26 40.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.23 -28.52 57.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.966 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -129.37 68.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.602 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.2 m -81.51 -11.91 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -79.14 -36.62 40.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.7 -55.43 2.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.4 mt -90.42 111.56 22.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.357 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.517 ' CZ ' HG13 ' A' ' 79' ' ' VAL . 47.8 p90 -166.41 162.99 17.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 110.99 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.57 HG21 ' CE1' ' A' ' 55' ' ' PHE . 24.7 t -105.84 150.21 8.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -137.82 179.56 6.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.26 1.81 70.92 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.1 mt -70.18 153.79 95.01 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 109.238 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 178.58 7.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.527 1.804 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.03 138.66 38.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.405 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 70.14 29.59 70.36 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.405 ' CG1' ' C ' ' A' ' 52' ' ' GLY . 10.5 mt -150.68 95.92 3.42 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.448 0.734 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.514 1.797 . . . . 0.0 110.971 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.57 ' CE1' HG21 ' A' ' 46' ' ' VAL . 10.7 t80 -109.32 85.42 2.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 57' ' ' ARG . 76.5 mmt-85 -135.71 165.52 25.38 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.539 1.15 . . . . 0.0 110.308 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' ARG . 1.0 OUTLIER -36.94 127.71 0.76 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.413 1.07 . . . . 0.0 110.289 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.483 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.98 0.69 8.6 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.524 1.802 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.477 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -96.33 9.0 42.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -128.47 4.71 5.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.39 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.417 ' OH ' ' N ' ' A' ' 56' ' ' ARG . 4.9 m-85 -93.54 156.78 16.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.58 163.5 53.7 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.533 1.145 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.638 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 7.4 mt -57.0 -44.44 99.79 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.437 0.728 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.0 -32.82 5.05 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.525 1.803 . . . . 0.0 111.04 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -65.01 -39.5 93.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 85.3 mt -68.18 -50.94 51.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.244 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.409 ' CG ' HD13 ' A' ' 8' ' ' LEU . 0.8 OUTLIER -42.1 -60.52 1.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 72' ' ' ALA . 4.5 mtp180 -47.07 -53.04 13.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.429 ' O ' ' CD1' ' A' ' 76' ' ' ILE . 87.7 mt -48.93 -33.61 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.468 ' CD1' HD21 ' A' ' 8' ' ' LEU . 76.7 mt -80.59 -32.05 36.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 68' ' ' ARG . 36.1 mt -78.96 -14.86 58.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -105.6 -2.88 22.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -44.08 -46.67 8.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.342 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -50.42 -32.48 17.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 72' ' ' ALA . 3.2 mtm180 -94.27 -39.18 10.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.071 . . . . 0.0 110.342 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 75' ' ' ARG . 17.9 mt -37.98 143.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -161.09 146.2 14.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.285 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.423 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 3.0 m-85 -112.0 107.5 16.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.926 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.517 HG13 ' CZ ' ' A' ' 45' ' ' TYR . 41.4 t -85.15 117.5 30.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.9 mm -112.26 65.95 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.373 1.046 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -54.05 -53.1 57.68 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.354 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.464 ' CD1' ' O ' ' A' ' 63' ' ' ILE . 30.6 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.446 ' HD3' ' CB ' ' A' ' 59' ' ' SER . 0.7 OUTLIER -38.0 -56.06 1.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 110.214 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -55.41 -48.34 74.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.257 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -53.16 -55.86 20.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.278 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.501 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 54.0 t -62.41 -43.07 97.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -49.66 -56.99 8.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.247 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.64 -36.58 81.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.46 HD21 ' CD1' ' A' ' 76' ' ' ILE . 1.7 tp -64.94 -63.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.404 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 3.1 m-30 -38.22 -56.5 1.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.62 -45.47 92.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.406 1.066 . . . . 0.0 110.244 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.9 mtt-85 -48.44 -62.45 1.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 110.347 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -47.08 -55.97 7.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -53.74 -49.33 68.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -58.04 -40.82 81.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -59.2 -44.03 92.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 110.342 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.03 -26.45 62.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.236 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.1 pt -114.9 16.03 7.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 21' ' ' ALA . 4.7 mttp 42.74 57.16 3.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.4 125.22 48.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -98.32 27.37 4.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.9 170.69 25.16 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 116.79 4.69 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.564 1.823 . . . . 0.0 111.016 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.7 m -111.34 162.53 8.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.233 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 94.1 m -104.1 143.66 32.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.404 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.404 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 66.0 mt -100.3 113.03 65.25 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.349 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 114.35 4.01 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.725 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 17.5 m-85 -73.21 -35.84 2.94 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.725 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.4 Cg_endo -74.86 -58.7 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.51 1.794 . . . . 0.0 111.067 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.9 mt -45.51 -40.28 8.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.464 ' O ' ' CG1' ' A' ' 41' ' ' VAL . 8.9 m-85 -78.11 -31.01 49.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 35' ' ' PRO . 41.4 tp60 -69.85 -49.35 53.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.143 . . . . 0.0 110.251 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.63 -29.87 68.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.409 1.068 . . . . 0.0 110.052 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -123.32 76.2 1.37 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.071 . . . . 0.0 109.554 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.464 ' CG1' ' O ' ' A' ' 37' ' ' PHE . 3.5 m -90.59 -14.48 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -84.27 -5.88 59.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.62 -58.43 1.59 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 27.0 mt -98.88 117.33 33.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.406 1.066 . . . . 0.0 109.363 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.554 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 40.4 p90 -160.64 155.88 24.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.564 HG22 ' CE1' ' A' ' 55' ' ' PHE . 15.4 t -100.82 142.89 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -131.38 -179.96 5.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.316 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.8 1.83 68.44 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.443 HD11 ' CG1' ' A' ' 46' ' ' VAL . 63.2 mt -70.46 152.95 95.35 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.555 0.797 . . . . 0.0 109.35 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 177.16 8.96 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.556 1.819 . . . . 0.0 111.017 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.0 141.21 40.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.411 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 68.44 29.27 72.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.455 ' CG2' HD11 ' A' ' 69' ' ' ILE . 8.7 mt -150.7 96.41 3.37 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.574 0.808 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.04 -162.85 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.486 1.782 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.564 ' CE1' HG22 ' A' ' 46' ' ' VAL . 9.1 t80 -107.54 84.06 1.9 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.436 ' N ' ' OH ' ' A' ' 61' ' ' TYR . 0.8 OUTLIER -134.56 165.14 25.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' ARG . 6.2 mtt180 -37.92 133.42 0.88 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.501 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.97 1.92 7.19 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.472 1.775 . . . . 0.0 111.038 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.446 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -97.23 8.37 44.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.987 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 19.0 p -125.7 5.36 7.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 110.382 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.436 ' OH ' ' N ' ' A' ' 56' ' ' ARG . 8.6 m-85 -99.13 148.5 24.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.05 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.34 164.14 48.1 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.113 . . . . 0.0 111.072 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.644 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 29.4 mt -55.58 -44.19 99.53 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.532 0.784 . . . . 0.0 109.307 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.98 -33.12 4.85 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.48 1.779 . . . . 0.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -61.82 -43.63 98.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.64 -52.97 54.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -40.41 -60.09 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 72' ' ' ALA . 4.5 mtp180 -48.36 -52.3 22.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.267 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.455 HD11 ' CG2' ' A' ' 53' ' ' ILE . 95.5 mt -49.71 -34.31 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.458 ' CD1' HD22 ' A' ' 8' ' ' LEU . 81.2 mt -78.23 -33.87 49.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 32.1 mt -76.34 -22.61 54.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . -95.45 -3.34 47.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.252 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -47.34 -44.0 23.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -54.26 -18.92 4.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 72' ' ' ALA . 20.0 mmt180 -109.61 -37.41 5.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.328 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.46 ' CD1' HD21 ' A' ' 15' ' ' LEU . 20.8 mt -39.12 143.9 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.42 ' N ' HG23 ' A' ' 76' ' ' ILE . 4.9 ttt180 -161.69 147.74 13.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.337 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.562 ' CZ ' HG22 ' A' ' 46' ' ' VAL . 8.2 m-85 -115.3 105.71 13.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.127 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.554 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 21.8 t -84.23 126.12 40.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.6 mm -118.05 87.85 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -55.99 8.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.544 0 O-C-N 124.504 1.128 . . . . 0.0 109.368 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.472 HD22 ' CD1' ' A' ' 70' ' ' LEU . 52.9 mt . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.482 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 2.2 ttm180 -45.57 -57.85 3.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -52.05 -44.05 64.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.424 ' CB ' HD22 ' A' ' 70' ' ' LEU . 5.1 mt-30 -56.38 -49.67 73.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 110.298 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 51.1 t -68.51 -45.06 82.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -50.45 -51.91 42.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -68.74 -40.19 79.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tp -60.27 -56.94 15.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.464 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 1.8 m-30 -41.24 -56.96 2.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 111.031 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -57.09 -49.96 74.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -42.17 -63.43 0.75 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.0 mmtt -45.87 -57.89 3.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -52.76 -46.83 67.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.404 1.065 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -60.52 -39.04 86.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.362 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -62.47 -44.03 97.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.345 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.51 -18.12 37.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.5 pt -123.14 15.05 5.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.373 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 21' ' ' ALA . 5.1 mttt 42.83 58.87 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -107.79 125.16 51.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -96.39 13.29 28.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -124.77 170.47 16.79 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.485 1.116 . . . . 0.0 111.028 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 117.17 4.81 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.386 1.73 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.4 m -110.96 163.18 7.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.573 1.171 . . . . 0.0 109.274 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 65.6 m -103.45 141.99 35.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.481 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.464 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 67.1 mt -96.95 119.79 62.81 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.385 1.053 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.435 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.4 Cg_endo -75.02 106.74 2.33 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.504 1.791 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.717 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 7.9 m-85 -76.59 -37.21 1.87 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.581 1.176 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.717 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.4 Cg_endo -75.02 -65.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.789 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.433 ' O ' ' CD2' ' A' ' 40' ' ' HIS . 10.2 mt -38.05 -48.47 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.435 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 3.5 m-85 -59.97 -47.33 86.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 111.029 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 35' ' ' PRO . 1.7 mm-40 -54.28 -38.31 65.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.35 -16.89 35.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.041 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.433 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 54.1 m-70 -130.02 63.19 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.596 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.8 m -85.26 -12.36 11.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -84.97 -13.94 49.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.331 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -125.18 -53.45 1.62 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.53 1.144 . . . . 0.0 109.358 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.5 mt -96.25 112.74 24.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -163.26 162.88 25.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.561 ' CG2' ' CE1' ' A' ' 55' ' ' PHE . 31.9 t -106.91 140.97 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -129.01 -178.74 4.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.332 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.39 1.6 70.84 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.548 1.155 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.3 mt -70.05 156.18 92.24 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 0.0 109.307 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -177.86 3.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.436 1.756 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -81.12 137.73 35.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.13 30.4 69.76 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.56 1.162 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.461 ' CG2' HD12 ' A' ' 69' ' ' ILE . 10.8 mt -150.49 95.38 3.53 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.777 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -161.47 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.545 1.813 . . . . 0.0 111.087 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.561 ' CE1' ' CG2' ' A' ' 46' ' ' VAL . 17.6 t80 -109.57 89.31 2.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 57' ' ' ARG . 25.6 mmt85 -139.94 166.1 25.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -36.07 125.36 0.69 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.47 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.03 1.13 8.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.482 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 54.2 p -95.56 3.89 53.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 110.002 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.48 -9.2 9.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.413 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.432 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 6.4 m-85 -79.11 157.94 27.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.07 163.75 52.42 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.564 1.165 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.651 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 62.7 mt -57.78 -43.6 98.81 Favored Pre-proline 0 C--N 1.327 -0.413 0 O-C-N 124.462 0.742 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -75.02 -32.51 5.29 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.457 1.767 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.06 -41.75 94.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.237 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.25 -50.71 64.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.431 ' CG ' HD13 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -41.89 -59.63 1.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.293 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 72' ' ' ALA . 2.7 mtt-85 -49.19 -50.45 37.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.461 HD12 ' CG2' ' A' ' 53' ' ' ILE . 92.9 mt -52.38 -32.98 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.472 ' CD1' HD22 ' A' ' 8' ' ' LEU . 80.3 mt -79.15 -28.27 42.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.6 mt -84.95 -13.2 51.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -104.44 -4.64 22.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.613 1.196 . . . . 0.0 109.348 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -44.81 -43.91 9.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.401 1.063 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -52.86 -31.27 38.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 72' ' ' ALA . 2.4 mtt180 -95.97 -38.86 10.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.433 ' C ' ' O ' ' A' ' 75' ' ' ARG . 20.1 mt -37.74 142.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 10.0 ttt180 -160.55 145.63 14.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.555 ' CZ ' HG22 ' A' ' 46' ' ' VAL . 5.5 m-85 -112.34 109.74 19.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 110.94 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.7 t -88.35 119.78 36.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.405 1.066 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.5 mm -109.4 60.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -44.7 -57.8 3.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.408 1.067 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.0 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.484 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 0.2 OUTLIER -42.65 -53.61 4.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -55.83 -43.74 77.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -57.02 -51.92 67.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.231 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 49.2 t -67.04 -41.89 87.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -53.28 -54.18 40.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.66 -36.49 82.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.11 -58.53 6.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.472 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.0 m-30 -40.72 -53.89 2.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.64 -50.24 74.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.26 -62.82 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.277 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -47.96 -54.61 12.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.346 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -54.97 -45.75 75.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.98 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -60.88 -38.75 86.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -60.75 -45.39 94.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.437 1.085 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.69 -22.73 47.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 25' ' ' LYS . 3.8 pt -119.69 18.21 6.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.14 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 21' ' ' ALA . 2.2 mtmm 39.14 59.62 1.64 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -107.06 122.72 47.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -93.91 27.95 2.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.42 170.52 25.05 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 . 005 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 117.12 4.8 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.778 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.8 m -109.03 166.42 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 95.1 m -103.56 144.21 31.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.376 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.472 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 64.5 mt -104.31 112.08 65.34 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.368 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.418 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.3 Cg_endo -74.93 116.85 4.72 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.507 1.793 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.74 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 13.4 m-85 -76.66 -33.96 1.25 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.589 1.181 . . . . 0.0 111.084 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.74 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -75.05 -69.23 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.992 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 35' ' ' PRO . 63.8 mt -36.93 -46.62 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.418 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 8.1 m-85 -66.98 -45.96 76.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 35' ' ' PRO . 2.7 tt0 -63.86 -32.01 73.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.325 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 t -75.2 -35.71 61.48 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -118.54 63.69 0.77 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.573 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.6 m -74.34 -9.51 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -91.3 -13.51 32.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.436 1.085 . . . . 0.0 110.378 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.92 -58.34 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.9 mt -95.62 117.37 30.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 109.273 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.569 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 24.2 p90 -163.29 152.65 14.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.572 HG21 ' CE1' ' A' ' 55' ' ' PHE . 7.3 t -93.88 148.27 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -134.56 178.08 7.27 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.434 1.084 . . . . 0.0 110.29 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.97 1.37 67.78 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.414 1.072 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 45.8 mt -68.94 152.3 96.87 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.559 0.799 . . . . 0.0 109.283 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -177.55 3.55 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.537 1.809 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.89 139.87 33.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.424 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 70.32 29.09 70.49 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.541 1.151 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.466 ' CG2' HD13 ' A' ' 69' ' ' ILE . 6.8 mt -150.65 96.49 3.37 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.425 ' O ' ' OH ' ' A' ' 61' ' ' TYR . 18.5 Cg_endo -74.98 -160.41 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.459 1.768 . . . . 0.0 111.055 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.572 ' CE1' HG21 ' A' ' 46' ' ' VAL . 15.2 t80 -110.19 87.28 2.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 111.053 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 57' ' ' ARG . 11.9 mmt-85 -139.01 165.62 26.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 56' ' ' ARG . 60.2 mtt180 -37.74 125.59 0.96 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.133 . . . . 0.0 110.265 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.481 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.01 1.87 7.26 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.536 1.808 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.484 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 81.4 p -88.45 8.68 26.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.43 1.081 . . . . 0.0 109.995 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.7 p -122.01 -42.39 2.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.397 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.481 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 13.5 m-85 -42.88 146.19 0.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -71.56 164.48 53.99 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.476 1.11 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.635 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 32.5 mt -54.98 -44.39 99.55 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.537 0.786 . . . . 0.0 109.379 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.08 -32.87 4.93 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.52 -40.45 93.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.427 1.079 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 74.6 mt -65.64 -53.2 44.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.567 1.167 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -40.36 -60.11 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 0.0 110.334 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 71' ' ' LEU . 3.1 mtp180 -46.91 -54.57 9.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.466 HD13 ' CG2' ' A' ' 53' ' ' ILE . 84.6 mt -48.35 -36.57 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.1 mt -75.73 -33.05 60.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' ARG . 63.9 mt -78.17 -12.11 59.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -106.77 -4.69 19.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -42.96 -50.45 5.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -47.25 -33.43 5.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 72' ' ' ALA . 0.9 OUTLIER -92.73 -39.1 11.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.227 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 75' ' ' ARG . 16.6 mt -38.48 143.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.35 146.16 8.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.339 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -110.4 110.64 21.49 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.446 1.091 . . . . 0.0 111.022 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.569 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 27.3 t -90.23 113.08 25.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.421 1.076 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.3 mm -103.87 71.21 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -59.29 4.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 mmpp? . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.246 -179.984 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 63' ' ' ILE . 23.7 mt . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.488 ' HD3' ' CB ' ' A' ' 59' ' ' SER . 0.5 OUTLIER -39.75 -53.66 2.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 ttpp -58.12 -44.54 87.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.224 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.441 ' CB ' HD22 ' A' ' 70' ' ' LEU . 3.3 mt-30 -58.7 -55.61 32.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.434 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 53.6 t -62.33 -45.09 99.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -49.13 -51.31 32.88 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.423 1.077 . . . . 0.0 110.274 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -68.85 -40.76 79.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 110.363 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tp -60.41 -59.65 5.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.479 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 1.8 m-30 -39.59 -57.11 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -58.32 -53.31 59.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 mtm-85 -39.53 -62.03 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.268 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt -45.55 -60.87 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -53.13 -51.75 60.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -54.95 -38.53 67.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.37 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -67.66 -38.98 84.55 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.403 1.064 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.22 -14.78 57.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 pt -123.47 2.88 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 21' ' ' ALA . 1.8 mtmt 55.25 61.76 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -113.27 124.26 52.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.67 25.88 3.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.59 170.22 24.28 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 117.35 4.88 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.429 1.752 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.0 m -111.34 165.63 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.243 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.9 m -103.29 142.11 34.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.43 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.479 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 28.3 mt -97.69 121.69 57.28 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.465 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.6 Cg_endo -74.92 108.86 2.81 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 111.061 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.709 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 4.4 m-85 -81.02 -37.83 0.96 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.08 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.709 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.2 Cg_endo -75.05 -68.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.782 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 35' ' ' PRO . 33.9 mt -36.4 -47.89 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.465 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 2.1 m-85 -57.54 -50.2 73.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.424 1.077 . . . . 0.0 111.009 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 35' ' ' PRO . 6.1 mm100 -54.59 -42.33 70.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.549 ' OG ' ' CD2' ' A' ' 40' ' ' HIS . 18.8 p -67.19 -33.21 74.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.549 ' CD2' ' OG ' ' A' ' 39' ' ' SER . 34.5 m-70 -124.3 70.15 1.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.661 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.6 m -82.48 -6.92 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 109.228 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -90.23 -15.67 30.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.244 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -121.78 -49.41 2.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.244 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.0 mt -97.87 124.39 42.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -177.47 161.29 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.56 HG22 ' CE1' ' A' ' 55' ' ' PHE . 14.7 t -104.37 151.8 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.398 1.061 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -137.1 -179.58 5.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.8 1.57 67.55 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.478 1.111 . . . . 0.0 111.044 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.1 mt -70.05 155.07 94.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 0.74 . . . . 0.0 109.334 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -174.84 2.09 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -84.12 137.89 33.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.05 30.54 69.83 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.493 1.12 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.465 ' CG2' HD13 ' A' ' 69' ' ' ILE . 10.8 mt -150.11 96.29 3.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -162.06 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.79 . . . . 0.0 110.98 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.56 ' CE1' HG22 ' A' ' 46' ' ' VAL . 10.9 t80 -109.67 85.38 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 57' ' ' ARG . 21.4 mmt180 -135.42 165.52 25.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.8 OUTLIER -37.31 127.15 0.85 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.434 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.99 1.51 7.66 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.495 1.787 . . . . 0.0 111.024 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.488 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 26.3 p -95.54 5.21 52.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.021 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -123.71 -3.2 8.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.439 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.428 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 5.0 m-85 -84.47 157.6 21.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.64 164.01 53.85 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.561 1.163 . . . . 0.0 110.952 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.658 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 2.0 mp -59.32 -43.17 96.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.466 0.745 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.658 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -75.0 -29.27 8.4 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.543 1.812 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.65 -49.55 70.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.372 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.415 HD11 ' N ' ' A' ' 9' ' ' ARG . 89.8 mt -58.41 -56.82 17.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 66' ' ' LEU . 2.6 mt-10 -37.16 -57.49 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.34 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -52.97 -51.78 60.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.356 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.465 HD13 ' CG2' ' A' ' 53' ' ' ILE . 93.7 mt -50.7 -31.93 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.441 HD22 ' CB ' ' A' ' 11' ' ' GLN . 63.7 mt -77.93 -31.89 51.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 76.7 mt -78.99 -15.33 58.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -102.29 -3.23 27.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -47.98 -43.35 29.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -55.63 -17.98 6.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 76' ' ' ILE . 20.8 mmt180 -110.81 -36.89 5.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.578 1.174 . . . . 0.0 110.27 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.433 HD12 ' CG2' ' A' ' 69' ' ' ILE . 22.4 mt -39.28 143.99 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -160.73 145.67 14.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.425 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 4.9 m-85 -111.24 106.98 16.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 16.9 t -85.07 129.88 37.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.441 1.088 . . . . 0.0 109.341 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.1 mm -121.96 64.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -47.62 -55.59 9.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 109.351 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.474 HD23 ' CD1' ' A' ' 70' ' ' LEU . 51.8 mt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.454 ' HD3' ' CB ' ' A' ' 59' ' ' SER . 1.8 ttm-85 -38.75 -54.48 1.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.27 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -56.45 -47.05 79.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 8' ' ' LEU . 4.9 mt-30 -53.59 -47.59 69.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.297 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 52.6 t -71.06 -45.35 72.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -51.55 -49.48 61.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -71.65 -39.82 70.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.268 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 tp -61.13 -52.7 63.76 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.474 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 1.7 m-30 -45.63 -60.56 2.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.554 1.159 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -51.85 -52.1 51.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -39.01 -64.44 0.45 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -45.2 -59.8 2.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -51.27 -46.23 62.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -61.26 -38.82 88.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.387 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -62.6 -45.52 92.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.77 -19.58 29.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.417 ' O ' ' C ' ' A' ' 25' ' ' LYS . 6.1 pt -122.99 17.4 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.256 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 21' ' ' ALA . 15.6 mmtm 39.04 61.04 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.256 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.45 120.5 42.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.347 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.14 23.75 3.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -136.2 170.06 23.41 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.555 1.16 . . . . 0.0 110.946 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 117.17 4.82 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.7 m -110.33 164.84 6.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.9 m -103.08 145.05 30.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.39 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.474 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 41.9 mt -102.01 119.89 55.43 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.446 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.2 Cg_endo -74.9 105.8 2.15 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.519 1.799 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.729 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 9.0 m-85 -79.54 -36.11 1.04 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.729 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.1 Cg_endo -75.06 -68.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 35' ' ' PRO . 40.8 mt -36.75 -54.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.592 1.182 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.446 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 2.3 m-85 -49.48 -47.6 48.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 35' ' ' PRO . 3.2 mm-40 -57.71 -35.28 70.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' SER . . . . . 0.419 ' OG ' ' CD2' ' A' ' 40' ' ' HIS . 71.5 p -83.81 -9.46 58.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.988 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.419 ' CD2' ' OG ' ' A' ' 39' ' ' SER . 57.4 m-70 -146.25 68.91 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.524 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.0 m -86.0 -12.31 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -87.01 -8.61 57.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -124.96 -51.73 1.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.4 mt -101.9 112.27 24.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.391 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.488 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 22.0 p90 -160.22 157.64 28.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.568 HG22 ' CE1' ' A' ' 55' ' ' PHE . 28.4 t -101.22 151.02 5.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -136.15 179.83 6.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.93 1.98 69.68 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.0 mt -72.92 155.99 90.11 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.557 0.799 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -172.67 1.32 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.476 1.777 . . . . 0.0 111.037 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.33 139.67 30.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.18 29.91 70.04 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.547 1.154 . . . . 0.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.0 mt -150.28 96.58 3.44 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.525 0.779 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -162.38 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.551 1.816 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.568 ' CE1' HG22 ' A' ' 46' ' ' VAL . 22.3 t80 -109.99 76.4 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 57' ' ' ARG . 8.1 mmt180 -125.01 165.79 17.52 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.458 1.099 . . . . 0.0 110.267 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.4 OUTLIER -36.58 124.85 0.76 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.356 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.472 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.93 1.5 7.63 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.435 1.755 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.454 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 38.4 p -97.38 9.1 43.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.951 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 t -132.7 15.49 4.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.439 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.439 ' CB ' HD21 ' A' ' 66' ' ' LEU . 2.6 m-85 -99.62 160.81 14.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.436 1.085 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.43 163.38 52.85 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.423 1.077 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.632 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 21.3 mt -58.95 -44.59 99.09 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.341 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -75.09 -30.37 7.11 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.476 1.777 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.98 -46.11 86.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.16 . . . . 0.0 110.357 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.439 HD21 ' CB ' ' A' ' 61' ' ' TYR . 94.5 mt -63.05 -55.42 25.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -38.8 -60.09 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -48.38 -52.9 19.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.426 ' CG2' HD13 ' A' ' 76' ' ' ILE . 96.8 mt -49.12 -35.69 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.474 ' CD1' HD23 ' A' ' 8' ' ' LEU . 83.2 mt -76.31 -33.89 59.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 50.1 mt -76.98 -12.89 60.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.384 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -107.68 -3.59 19.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -47.53 -36.99 11.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.244 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -59.22 -27.47 65.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 76' ' ' ILE . 2.6 mtt180 -101.33 -36.93 8.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.428 ' C ' ' O ' ' A' ' 75' ' ' ARG . 28.6 mt -38.41 144.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.236 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -160.61 146.94 15.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -111.06 107.03 16.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 111.033 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.488 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 39.8 t -85.54 135.29 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.1 mm -126.25 75.17 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -51.78 68.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.09 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.437 1.085 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 11' ' ' GLN . 42.1 mt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 9' ' ' ARG . 1.9 ttm105 -38.81 -53.85 1.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.43 -46.47 83.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.376 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 8' ' ' LEU . 5.2 mt-30 -54.74 -53.2 58.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.591 1.182 . . . . 0.0 110.264 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.485 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 54.2 t -65.82 -44.89 92.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -49.19 -53.17 22.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.288 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -66.28 -39.73 89.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 110.317 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tp -61.58 -61.46 2.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.133 . . . . 0.0 109.319 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.456 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.4 m-30 -37.6 -56.9 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 111.077 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 18' ' ' ARG . 3.6 mt-10 -56.95 -53.85 53.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' GLU . 0.9 OUTLIER -38.55 -64.79 0.4 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 110.305 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -43.02 -59.13 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.426 1.079 . . . . 0.0 109.231 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -54.72 -54.31 43.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -53.15 -38.3 62.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -67.3 -40.21 86.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.35 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.13 -18.8 63.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.9 pt -119.87 6.99 6.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.607 1.192 . . . . 0.0 109.285 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 21' ' ' ALA . 0.2 OUTLIER 49.59 64.34 1.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -114.43 123.18 48.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -92.9 27.15 2.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -140.69 169.64 24.79 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.135 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 117.13 4.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.462 1.77 . . . . 0.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.0 m -110.85 163.86 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.9 m -103.04 145.14 30.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.371 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.456 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 19.2 mt -101.19 119.25 58.38 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.418 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.4 Cg_endo -74.97 105.37 2.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.525 1.803 . . . . 0.0 111.049 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.749 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 13.0 m-85 -78.39 -34.59 1.06 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.376 1.048 . . . . 0.0 110.975 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.749 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -75.01 -69.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.496 1.788 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 35' ' ' PRO . 54.3 mt -36.39 -54.74 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.533 ' CZ ' ' HB3' ' A' ' 44' ' ' LEU . 3.0 m-85 -51.1 -51.04 57.33 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.418 1.074 . . . . 0.0 111.015 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 35' ' ' PRO . 2.9 mm-40 -51.58 -33.39 32.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.79 -27.56 33.66 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.531 1.144 . . . . 0.0 109.98 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -126.53 58.05 1.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.537 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.9 m -73.29 -12.43 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -82.84 -25.51 32.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.305 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.47 -55.9 2.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.533 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 47.1 mt -93.48 112.45 24.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.244 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.549 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 17.2 p90 -161.07 151.02 17.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 110.972 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.577 HG21 ' CE1' ' A' ' 55' ' ' PHE . 30.7 t -97.86 148.41 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -133.32 -178.77 5.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.95 1.88 69.44 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.3 mt -69.99 153.49 95.36 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.305 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -172.0 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.457 1.767 . . . . 0.0 110.947 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.13 137.76 32.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.393 1.058 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.407 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 69.89 29.75 70.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.136 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.465 ' CG2' HD13 ' A' ' 69' ' ' ILE . 8.0 mt -150.22 95.96 3.53 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.526 0.78 . . . . 0.0 109.301 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.407 ' O ' ' OH ' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -74.98 -161.43 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.457 1.767 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.577 ' CE1' HG21 ' A' ' 46' ' ' VAL . 8.5 t80 -109.59 83.41 1.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 57' ' ' ARG . 0.4 OUTLIER -134.96 165.7 24.73 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.496 1.122 . . . . 0.0 110.253 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 56' ' ' ARG . 2.8 mtt180 -36.17 129.56 0.64 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.347 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.485 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.5 Cg_endo -74.94 2.89 6.09 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.519 1.799 . . . . 0.0 111.051 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.457 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 1.2 m -97.38 6.35 48.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.97 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.5 p -121.03 -6.3 9.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 110.407 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.407 ' OH ' ' O ' ' A' ' 54' ' ' PRO . 9.6 m-85 -86.05 150.39 24.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.78 164.09 53.34 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.431 1.082 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.649 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 34.5 mt -56.11 -43.92 99.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.439 0.729 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.99 -32.6 5.25 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.517 1.799 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.27 -44.57 91.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.375 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.88 -54.42 42.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -39.82 -61.35 0.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -45.55 -55.04 6.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.465 HD13 ' CG2' ' A' ' 53' ' ' ILE . 89.1 mt -47.89 -38.36 7.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.469 ' O ' ' CD ' ' A' ' 73' ' ' LYS . 76.9 mt -73.6 -32.8 64.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 68' ' ' ARG . 54.3 mt -76.54 -25.57 54.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.133 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -93.47 -2.87 53.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.469 ' CD ' ' O ' ' A' ' 70' ' ' LEU . 1.5 ptmt -44.18 -46.65 8.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -50.29 -32.04 15.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.235 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 72' ' ' ALA . 9.8 mmt180 -94.77 -39.7 10.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.349 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.449 HD11 ' CG2' ' A' ' 69' ' ' ILE . 19.5 mt -37.74 142.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 2.8 ttp180 -160.97 142.44 11.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.359 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.431 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 4.8 m-85 -107.94 109.8 21.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 111.04 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.549 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 39.7 t -89.39 128.44 41.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.8 mm -118.98 78.81 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -49.61 75.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.249 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.413 HD21 ' CD1' ' A' ' 70' ' ' LEU . 55.8 mt . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.489 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 2.3 ttm180 -41.67 -49.77 4.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -60.75 -44.21 97.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.254 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -58.06 -52.79 64.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.446 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 49.2 t -66.67 -42.68 90.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -54.02 -54.38 39.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.81 -34.57 78.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.419 1.074 . . . . 0.0 110.26 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tp -66.0 -54.34 27.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.155 . . . . 0.0 109.235 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.475 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.3 m-30 -44.85 -57.86 3.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.05 -50.21 71.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -42.06 -65.15 0.49 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 110.367 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -43.55 -59.06 2.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -52.1 -47.97 64.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.567 1.167 . . . . 0.0 111.055 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -59.86 -38.06 81.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -63.77 -43.97 94.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.56 -18.13 38.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.0 pt -123.38 14.35 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.394 1.059 . . . . 0.0 109.346 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 21' ' ' ALA . 30.2 mmtt 42.05 60.93 2.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.611 1.195 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -107.21 122.23 46.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.249 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.3 28.35 2.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.25 170.04 25.17 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.12 116.94 4.71 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.3 m -110.96 163.93 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.369 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 86.4 m -103.74 143.14 33.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.368 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 25.8 mt -97.26 120.99 59.99 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.14 . . . . 0.0 109.249 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.424 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.2 Cg_endo -75.07 107.14 2.41 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.81 . . . . 0.0 110.993 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.734 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 20.5 m-85 -79.62 -35.76 1.0 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 111.051 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.734 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.2 Cg_endo -75.05 -69.14 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.431 1.753 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 35' ' ' PRO . 45.2 mt -36.2 -54.23 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.424 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 2.6 m-85 -50.78 -50.24 56.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 35' ' ' PRO . 1.7 mm100 -55.67 -29.85 60.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.361 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.39 -27.79 31.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.951 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -130.1 69.76 1.44 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.459 1.099 . . . . 0.0 109.56 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.6 m -82.01 -9.48 11.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 0.0 109.328 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -84.84 -31.92 23.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -103.13 -53.14 2.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.166 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.0 mt -95.39 121.07 36.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.446 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 22.9 p90 -170.97 155.13 4.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 111.019 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.56 HG21 ' CE1' ' A' ' 55' ' ' PHE . 13.5 t -96.75 153.39 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -140.57 174.71 10.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.14 1.27 87.74 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.448 1.093 . . . . 0.0 111.043 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.2 mt -68.55 155.44 92.81 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -165.19 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 111.078 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -93.15 137.37 32.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.425 ' O ' ' NH1' ' A' ' 65' ' ' ARG . . . 70.03 30.31 70.05 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.567 1.167 . . . . 0.0 111.007 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.467 ' CG2' HD11 ' A' ' 69' ' ' ILE . 6.6 mt -148.68 97.1 3.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.433 ' O ' ' OH ' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.03 -159.75 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.445 1.761 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.56 ' CE1' HG21 ' A' ' 46' ' ' VAL . 16.8 t80 -111.65 85.02 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' ARG . 24.6 mmt180 -136.53 165.66 25.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.419 1.074 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' ARG . 43.2 mtt180 -37.56 125.37 0.92 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.428 1.08 . . . . 0.0 110.251 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.477 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.99 1.23 7.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.803 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.489 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 1.4 p -87.17 2.23 50.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.028 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.6 p -115.96 -39.16 3.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.435 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.477 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 11.6 m-85 -46.47 144.13 2.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 110.965 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.2 164.63 47.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.649 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 13.6 mt -55.68 -43.75 99.32 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.463 0.743 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.98 -33.21 4.77 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.775 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.425 ' NH1' ' O ' ' A' ' 52' ' ' GLY . 0.2 OUTLIER -63.25 -44.75 94.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.356 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.06 -54.34 42.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -39.11 -56.19 1.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER -51.12 -54.3 26.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.467 HD11 ' CG2' ' A' ' 53' ' ' ILE . 85.6 mt -48.34 -35.42 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.364 1.04 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.413 ' CD1' HD21 ' A' ' 8' ' ' LEU . 77.6 mt -76.47 -31.51 57.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' ARG . 76.8 mt -78.06 -16.47 58.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -103.57 -4.42 23.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.61 1.194 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.9 -34.68 4.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -59.93 -33.96 72.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' ALA . 3.0 mtt180 -95.02 -35.81 11.81 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.473 1.108 . . . . 0.0 110.357 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 75' ' ' ARG . 13.8 mt -37.79 141.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 6.4 ttt180 -161.04 145.25 13.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.339 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.42 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 5.4 m-85 -111.16 108.78 18.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.446 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 18.9 t -88.09 133.22 31.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.6 mm -123.71 70.6 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.13 -54.66 40.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.9 mt . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -39.03 -58.22 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 tttp -52.82 -47.71 67.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -53.47 -51.28 63.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 54.4 t -65.73 -46.26 89.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.409 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 29.2 mt-10 -49.95 -52.21 35.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.328 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -68.46 -38.59 81.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.266 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.45 ' CD2' HD13 ' A' ' 76' ' ' ILE . 1.2 tp -61.82 -55.54 28.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.472 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.4 m-30 -44.76 -60.83 1.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.409 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 2.5 mt-10 -56.22 -49.4 74.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.249 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -42.75 -62.17 1.07 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -46.87 -60.75 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.316 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -50.07 -47.7 53.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -59.54 -39.88 85.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.088 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -62.02 -44.33 96.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.9 -19.53 43.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.0 pt -122.62 16.05 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 21' ' ' ALA . 21.0 mtmt 41.4 59.53 2.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 109.338 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -105.02 119.62 39.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.34 25.56 2.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.409 1.068 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.78 169.93 24.44 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.546 1.154 . . . . 0.0 111.034 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 117.35 4.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.783 . . . . 0.0 110.982 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.5 m -111.53 162.75 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.2 m -103.45 142.43 34.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.417 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.472 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 63.3 mt -98.21 118.73 63.18 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.605 1.191 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.444 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.4 Cg_endo -74.98 109.09 2.86 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.528 1.804 . . . . 0.0 111.006 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.753 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 14.5 m-85 -78.82 -34.42 0.98 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 111.065 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.753 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.0 Cg_endo -75.08 -70.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.464 1.77 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.457 ' C ' ' O ' ' A' ' 35' ' ' PRO . 89.3 mt -35.84 -54.39 0.74 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.444 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 3.6 m-85 -51.9 -48.42 64.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 35' ' ' PRO . 2.7 mm100 -57.39 -29.17 63.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.3 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.39 -25.28 29.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.948 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -131.42 70.88 1.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.561 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.2 m -84.54 -9.19 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -90.72 -4.87 56.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.539 1.15 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -126.02 -59.38 1.34 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.434 ' CD2' HG23 ' A' ' 80' ' ' ILE . 15.5 mt -98.68 120.69 39.55 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.41 ' CZ ' HG13 ' A' ' 79' ' ' VAL . 39.4 p90 -166.05 155.94 12.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.566 HG23 ' CE1' ' A' ' 55' ' ' PHE . 23.0 t -99.35 137.04 28.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -126.86 -177.69 4.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.34 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.85 1.79 68.56 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.533 1.146 . . . . 0.0 110.946 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.2 mt -70.25 154.81 94.27 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 0.0 109.333 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -174.93 2.11 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.458 1.767 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.38 139.29 32.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.602 1.189 . . . . 0.0 110.285 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.4 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 69.94 30.1 70.37 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.436 1.085 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.405 ' CG2' HD11 ' A' ' 69' ' ' ILE . 9.7 mt -150.15 96.72 3.46 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.785 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -162.49 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.449 1.762 . . . . 0.0 111.035 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.566 ' CE1' HG23 ' A' ' 46' ' ' VAL . 9.3 t80 -110.21 84.83 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' ARG . 10.8 mmt85 -134.98 165.82 24.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.318 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.8 OUTLIER -37.5 127.23 0.89 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.485 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.98 1.35 7.83 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 9' ' ' ARG . 80.3 p -94.4 8.34 42.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.942 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -129.83 4.5 4.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.453 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.485 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 4.1 m-30 -90.01 153.06 20.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.1 163.04 54.49 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.637 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 23.8 mt -56.8 -44.22 99.68 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.482 0.754 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.02 -30.64 6.93 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.465 1.771 . . . . 0.0 111.025 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.99 -39.52 83.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 66.9 mt -67.72 -47.58 68.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -45.58 -63.92 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 71' ' ' LEU . 4.7 mtp180 -44.76 -52.74 8.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.405 HD11 ' CG2' ' A' ' 53' ' ' ILE . 95.6 mt -49.79 -32.95 8.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.458 ' O ' ' CE ' ' A' ' 73' ' ' LYS . 68.0 mt -81.83 -29.75 32.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 68' ' ' ARG . 10.5 mt -85.06 -3.15 58.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.409 ' C ' HG13 ' A' ' 76' ' ' ILE . . . -113.97 -1.88 13.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.458 ' CE ' ' O ' ' A' ' 70' ' ' LEU . 2.6 pttp -48.6 -41.4 30.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -56.18 -17.29 6.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.353 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 76' ' ' ILE . 18.8 mmt-85 -111.43 -37.46 5.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.45 HD13 ' CD2' ' A' ' 15' ' ' LEU . 7.2 mt -39.4 140.36 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.545 1.153 . . . . 0.0 109.208 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 1.3 ttt180 -157.61 146.32 19.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.342 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.432 ' CZ ' HG23 ' A' ' 46' ' ' VAL . 7.2 m-85 -113.52 107.14 15.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.41 HG13 ' CZ ' ' A' ' 45' ' ' TYR . 40.6 t -85.07 119.3 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.346 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.434 HG23 ' CD2' ' A' ' 44' ' ' LEU . 6.5 mm -112.06 74.6 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -61.48 -54.25 45.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -179.987 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 11' ' ' GLN . 66.7 mt . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.475 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 1.0 OUTLIER -39.46 -55.58 1.76 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.57 1.169 . . . . 0.0 110.345 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -53.62 -43.39 68.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' LEU . 5.8 mt-30 -57.73 -50.24 73.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 110.321 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.465 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 53.0 t -67.36 -44.31 87.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.253 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.402 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 40.9 mt-10 -51.34 -54.43 26.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.58 1.175 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -65.43 -36.01 82.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 110.271 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.44 HD22 ' CD1' ' A' ' 76' ' ' ILE . 2.1 tp -64.47 -58.48 6.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.3 m-30 -40.96 -51.76 3.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 0.0 111.028 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 3.2 mt-10 -62.78 -51.14 68.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -40.84 -62.89 0.73 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.384 1.052 . . . . 0.0 110.285 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -47.24 -60.79 2.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.229 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -50.26 -51.73 42.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -56.15 -40.25 73.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -64.48 -39.33 93.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.342 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.32 -15.54 57.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.5 pt -124.14 7.06 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 21' ' ' ALA . 21.0 mmtp 52.85 58.84 4.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.238 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -109.6 120.36 42.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.279 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -92.54 23.82 3.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -136.5 170.01 23.53 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.482 1.113 . . . . 0.0 110.982 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 118.1 5.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 110.969 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.5 m -111.96 161.36 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.8 m -103.18 138.85 39.44 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 110.459 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.571 HD12 ' CZ ' ' A' ' 78' ' ' PHE . 43.2 mt -96.57 115.26 65.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 117.83 5.06 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.481 1.779 . . . . 0.0 110.978 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.744 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 18.5 m-85 -77.51 -33.83 1.09 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.744 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -75.05 -68.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.54 1.811 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 35' ' ' PRO . 27.0 mt -37.17 -44.52 0.57 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.234 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -70.52 -45.05 66.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 35' ' ' PRO . 1.9 tt0 -62.37 -37.34 85.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.264 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -27.79 63.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.025 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -130.48 69.9 1.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.55 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.3 m -80.8 -8.2 11.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -88.34 -15.31 36.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -116.49 -58.31 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 109.316 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.9 mt -95.34 114.04 25.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.575 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 16.2 p90 -159.39 151.89 21.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.571 HG21 ' CE1' ' A' ' 55' ' ' PHE . 4.4 t -94.3 143.24 12.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -128.55 178.19 6.48 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 0.0 110.269 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.35 1.43 69.98 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.523 1.14 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.4 mt -68.33 153.25 95.83 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -176.29 2.8 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.412 1.743 . . . . 0.0 111.029 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.38 138.75 33.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 110.288 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.407 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 69.93 29.58 70.74 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.536 1.148 . . . . 0.0 110.965 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.468 ' CG2' HD13 ' A' ' 69' ' ' ILE . 7.6 mt -150.05 95.88 3.58 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -161.84 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.504 1.792 . . . . 0.0 111.004 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.571 ' CE1' HG21 ' A' ' 46' ' ' VAL . 13.1 t80 -108.27 87.59 2.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.438 ' N ' ' OH ' ' A' ' 61' ' ' TYR . 60.3 mmt-85 -139.22 165.67 26.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.252 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 56' ' ' ARG . 3.6 mtt180 -37.29 126.06 0.86 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 110.327 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.465 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.1 Cg_endo -75.08 0.65 8.69 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 0.0 110.918 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.475 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 24.7 p -94.8 3.11 55.4 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.523 1.14 . . . . 0.0 110.017 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.35 -11.26 10.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.432 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.438 ' OH ' ' N ' ' A' ' 56' ' ' ARG . 7.0 m-85 -77.31 159.74 29.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.52 163.68 50.24 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.46 1.1 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.643 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 4.3 mt -57.2 -44.22 99.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 109.328 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.95 -33.18 4.84 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.484 1.781 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.25 -37.57 87.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 84.4 mt -69.32 -49.71 53.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.425 ' CG ' HD13 ' A' ' 8' ' ' LEU . 1.1 mt-10 -43.39 -59.19 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -48.31 -52.73 20.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.468 HD13 ' CG2' ' A' ' 53' ' ' ILE . 83.0 mt -49.41 -37.23 10.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.8 mt -73.73 -33.28 64.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 62.4 mt -77.7 -15.53 59.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -103.0 -4.48 24.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -47.6 -41.6 22.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -56.88 -22.11 34.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.338 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 72' ' ' ALA . 3.3 mtt-85 -106.31 -36.67 6.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.446 HD12 ' CG2' ' A' ' 69' ' ' ILE . 40.0 mt -39.06 145.12 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.576 1.173 . . . . 0.0 109.308 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.428 ' N ' HG22 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -163.08 145.68 10.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.571 ' CZ ' HD12 ' A' ' 32' ' ' ILE . 8.1 m-85 -110.83 108.65 18.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.405 1.066 . . . . 0.0 110.937 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.575 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 29.8 t -89.98 117.1 32.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.2 mm -105.35 68.27 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.17 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.403 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -47.44 -61.06 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.178 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.9 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.482 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -42.22 -55.08 3.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -56.47 -47.08 79.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -54.78 -51.29 66.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 54.9 t -66.2 -44.64 91.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -52.51 -55.0 25.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -65.53 -32.3 73.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 110.342 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.466 HD23 ' CD1' ' A' ' 76' ' ' ILE . 4.1 tp -68.41 -57.01 6.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.461 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.9 m-30 -42.86 -55.27 3.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -57.34 -53.31 59.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.327 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.5 -64.44 0.43 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.6 mmtt -45.79 -58.34 3.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -52.6 -57.88 8.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -51.11 -41.82 60.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -62.66 -39.78 95.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.81 -25.02 67.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.9 pt -113.11 7.69 7.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.604 1.19 . . . . 0.0 109.206 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 21' ' ' ALA . 6.5 mtmt 52.32 59.07 4.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -107.72 124.17 49.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.409 1.068 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -95.95 25.57 4.67 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -140.14 170.11 24.46 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.538 1.148 . . . . 0.0 111.022 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 117.41 4.9 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.534 1.807 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.1 m -112.85 163.82 9.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 92.6 m -103.84 144.24 31.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.38 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 47.6 mt -99.86 115.62 65.41 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.572 1.17 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 116.79 4.7 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.582 1.832 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.742 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 22.0 m-85 -77.23 -33.86 1.13 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.742 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -74.96 -68.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.451 1.764 . . . . 0.0 111.056 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 35' ' ' PRO . 67.5 mt -37.26 -45.06 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -69.87 -44.94 68.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.407 1.067 . . . . 0.0 111.041 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 35' ' ' PRO . 2.8 tt0 -62.63 -43.62 98.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.347 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.0 -32.69 73.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.965 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -124.88 71.33 1.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.572 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.5 m -81.96 -11.39 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.165 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -89.23 -3.51 58.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -123.48 -54.57 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.6 mt -106.45 117.39 33.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.559 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 18.1 p90 -158.06 152.09 24.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.578 1.174 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.56 HG23 ' CE1' ' A' ' 55' ' ' PHE . 7.6 t -94.57 138.16 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 109.229 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 7.6 mt-10 -125.85 178.97 5.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.66 1.55 72.12 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.434 1.084 . . . . 0.0 110.965 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.402 HD11 ' CG1' ' A' ' 46' ' ' VAL . 60.1 mt -68.37 155.89 91.52 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.44 0.73 . . . . 0.0 109.37 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -170.34 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -88.92 138.51 31.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.439 ' O ' ' NH1' ' A' ' 65' ' ' ARG . . . 69.45 30.39 71.25 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.479 1.112 . . . . 0.0 111.042 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.448 ' CG2' HD13 ' A' ' 69' ' ' ILE . 7.7 mt -149.05 96.7 3.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.751 . . . . 0.0 109.277 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -162.58 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.446 1.761 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.56 ' CE1' HG23 ' A' ' 46' ' ' VAL . 14.1 t80 -108.77 86.34 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.965 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.425 ' N ' ' OH ' ' A' ' 61' ' ' TYR . 12.2 mmt180 -136.55 165.49 25.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 110.252 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 56' ' ' ARG . 3.1 mtt180 -37.29 126.83 0.85 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.426 1.078 . . . . 0.0 110.285 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.466 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.96 1.24 7.93 Favored 'Trans proline' 0 C--N 1.361 1.236 0 O-C-N 124.45 1.763 . . . . 0.0 110.977 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.482 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 25.1 p -96.32 8.16 44.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -127.03 1.13 6.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.432 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 5.3 m-85 -89.04 156.56 18.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.63 163.52 54.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.112 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.644 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 3.4 mt -57.18 -44.18 99.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.03 -32.48 5.31 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.556 1.819 . . . . 0.0 110.96 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 52' ' ' GLY . 0.3 OUTLIER -64.72 -40.22 94.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.95 -50.13 57.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -44.35 -61.4 1.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.349 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.05 -51.96 12.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.448 HD13 ' CG2' ' A' ' 53' ' ' ILE . 87.0 mt -50.58 -39.39 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 42.9 mt -72.05 -29.18 63.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.7 mt -81.78 -15.87 52.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -102.37 -4.57 25.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.38 -44.49 17.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -53.85 -23.34 12.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 0.0 110.229 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' ALA . 11.6 mmt180 -104.75 -37.85 6.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.11 . . . . 0.0 110.298 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.466 ' CD1' HD23 ' A' ' 15' ' ' LEU . 44.3 mt -38.59 144.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.443 ' N ' HG23 ' A' ' 76' ' ' ILE . 18.7 ttt180 -162.72 146.31 11.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.316 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.54 ' CZ ' ' CG2' ' A' ' 46' ' ' VAL . 7.7 m-85 -112.8 107.55 16.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.412 1.07 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.559 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 23.3 t -88.1 118.21 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.8 mm -106.74 78.77 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -61.26 2.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 11' ' ' GLN . 24.0 mt . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -40.16 -52.81 2.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.19 -44.73 83.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 8' ' ' LEU . 4.3 mt-30 -55.78 -50.19 71.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.324 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.464 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 50.2 t -68.82 -48.96 68.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -49.47 -48.64 47.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -71.35 -40.23 70.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 tp -60.63 -53.5 56.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.48 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.2 m-30 -44.7 -59.08 2.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -53.34 -49.75 66.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.276 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -42.94 -63.87 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -44.03 -62.76 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -50.25 -43.39 53.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.067 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -63.0 -38.56 91.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -62.96 -46.08 89.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.05 -19.54 19.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 25' ' ' LYS . 4.7 pt -122.4 17.74 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 24' ' ' ILE . 3.2 mmtt 39.12 60.88 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -107.98 126.85 53.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -95.84 10.97 35.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.357 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -124.05 169.79 16.19 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 111.058 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 117.27 4.85 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.438 1.757 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.7 m -109.05 164.99 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 0.0 109.319 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.8 m -103.35 145.98 29.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.48 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 42.9 mt -102.75 118.82 57.51 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.465 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.0 Cg_endo -75.04 108.13 2.64 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.466 1.772 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.721 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 11.2 m-85 -79.66 -36.8 1.09 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.721 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.1 Cg_endo -74.92 -69.49 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.537 1.809 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 35' ' ' PRO . 44.1 mt -35.79 -52.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.465 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 2.4 m-85 -51.67 -51.26 57.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 35' ' ' PRO . 1.8 mm-40 -49.8 -41.03 43.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 t -72.7 -29.26 63.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.954 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 37' ' ' PHE . 26.3 m-70 -126.91 71.61 1.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.591 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.8 m -85.23 -13.66 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . 0.455 ' O ' ' NZ ' ' A' ' 81' ' ' LYS . 29.6 mm-40 -83.2 -23.28 32.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.84 -54.29 2.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.1 mt -94.21 112.44 24.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -167.05 157.76 11.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.564 HG23 ' CE1' ' A' ' 55' ' ' PHE . 37.8 t -101.63 152.6 5.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 2.0 mt-10 -138.51 -178.9 5.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 110.249 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.63 1.64 66.87 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.471 1.107 . . . . 0.0 110.937 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.1 mt -69.65 155.1 94.11 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.56 0.8 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -173.72 1.67 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.489 1.784 . . . . 0.0 111.074 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -85.72 138.66 31.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.413 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 70.01 29.23 70.85 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.413 ' CG1' ' C ' ' A' ' 52' ' ' GLY . 6.4 mt -150.18 95.22 3.62 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.433 0.726 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -162.73 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.459 1.768 . . . . 0.0 111.015 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.564 ' CE1' HG23 ' A' ' 46' ' ' VAL . 12.6 t80 -107.42 79.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' ARG . 24.1 mmt180 -130.38 165.88 21.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 110.332 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' ARG . 2.0 mtt180 -37.62 125.86 0.93 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.32 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.493 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.05 2.16 6.96 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.554 1.818 . . . . 0.0 110.954 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 98.2 p -94.73 8.59 42.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.064 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.2 t -127.96 2.44 5.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.415 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.493 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 7.3 m-85 -90.97 153.79 19.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.78 163.83 54.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.651 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 2.1 mp -57.36 -43.67 99.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.562 0.801 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.97 -33.08 4.9 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.464 1.771 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.71 -39.44 94.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 110.266 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 76.9 mt -68.22 -49.64 59.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.245 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -44.02 -62.24 1.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.419 1.075 . . . . 0.0 110.279 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 72' ' ' ALA . 9.0 mtt-85 -45.19 -53.02 8.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.238 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.459 ' CG2' HD11 ' A' ' 76' ' ' ILE . 89.9 mt -49.91 -39.28 15.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.0 mt -71.52 -33.05 68.84 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.4 mt -79.31 -15.43 57.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -101.51 -5.19 25.52 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.411 1.07 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -45.67 -50.34 13.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -49.59 -22.45 1.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.246 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 72' ' ' ALA . 22.4 mmt180 -104.43 -38.81 6.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.459 HD11 ' CG2' ' A' ' 69' ' ' ILE . 41.9 mt -39.44 145.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.433 ' N ' HG22 ' A' ' 76' ' ' ILE . 2.5 ttt180 -161.35 145.04 12.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.427 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 4.4 m-85 -110.51 108.45 18.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.5 t -87.98 105.94 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 7.9 mm -98.35 61.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.176 . . . . 0.0 109.255 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.455 ' NZ ' ' O ' ' A' ' 42' ' ' GLU . 1.6 mttp -44.49 -56.74 4.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.473 ' CD2' HD12 ' A' ' 70' ' ' LEU . 83.5 mt . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -37.96 -56.79 1.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.37 -48.93 73.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.352 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -52.66 -47.86 66.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.347 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 54.6 t -69.6 -46.11 76.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.408 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 36.8 mt-10 -50.77 -52.78 37.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 110.269 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.97 -34.39 77.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.446 HD22 ' CD1' ' A' ' 76' ' ' ILE . 1.1 tp -66.27 -56.91 8.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -43.22 -55.99 3.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.408 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 3.0 mt-10 -59.66 -49.4 77.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.8 mmt-85 -43.86 -61.0 1.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.209 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -48.36 -59.13 3.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -51.97 -53.76 37.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -53.96 -39.57 66.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -65.82 -38.45 88.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.4 -12.82 46.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.2 pt -126.11 3.69 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER 56.33 58.91 3.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -108.57 120.93 43.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -93.4 28.85 2.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.355 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -143.37 170.08 25.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 117.81 5.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.0 m -112.41 162.47 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.379 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 99.9 m -103.58 143.86 32.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.399 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 51.9 mt -99.22 118.22 62.84 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 115.83 4.4 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.52 1.8 . . . . 0.0 110.959 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.747 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 24.9 m-85 -77.49 -33.77 1.09 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.747 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.4 Cg_endo -75.02 -68.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 35' ' ' PRO . 77.5 mt -37.15 -45.53 0.63 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.574 1.171 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -70.33 -44.0 69.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.419 1.075 . . . . 0.0 111.039 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 35' ' ' PRO . 20.1 tp60 -57.55 -50.15 74.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.3 -22.59 61.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.003 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -126.57 72.07 1.32 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.666 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.6 m -91.64 -6.78 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -85.0 -29.03 25.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.253 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -107.39 -50.69 3.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.423 ' CD2' HG22 ' A' ' 80' ' ' ILE . 81.5 mt -94.83 117.06 29.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.495 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 12.0 p90 -165.16 150.47 9.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 110.955 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.566 HG21 ' CE1' ' A' ' 55' ' ' PHE . 6.1 t -93.84 151.06 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -135.21 178.93 6.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.377 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.74 2.37 69.81 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.2 mt -71.33 153.99 93.82 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.453 0.737 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -177.4 3.43 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -82.32 139.24 34.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.41 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 70.08 29.3 70.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.561 1.163 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.41 ' CG1' ' C ' ' A' ' 52' ' ' GLY . 7.9 mt -150.48 95.18 3.56 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 109.34 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.82 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.566 ' CE1' HG21 ' A' ' 46' ' ' VAL . 13.6 t80 -107.17 87.29 2.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.438 ' N ' ' OH ' ' A' ' 61' ' ' TYR . 26.0 mmt180 -138.31 166.01 25.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.2 OUTLIER -36.55 126.76 0.73 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.473 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.05 0.69 8.62 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.789 . . . . 0.0 110.948 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 t -97.23 8.38 44.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.991 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -125.75 3.91 7.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.407 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.438 ' OH ' ' N ' ' A' ' 56' ' ' ARG . 6.9 m-85 -93.23 159.28 15.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.9 163.71 52.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.42 1.075 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.649 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.9 mp -57.6 -43.89 99.15 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.55 0.794 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.04 -33.5 4.5 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.496 1.787 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -63.73 -40.33 96.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.411 HD23 ' CB ' ' A' ' 61' ' ' TYR . 80.9 mt -66.28 -53.27 38.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.435 ' CG ' HD13 ' A' ' 8' ' ' LEU . 1.2 mt-10 -40.2 -59.87 1.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.342 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' LEU . 0.6 OUTLIER -47.85 -52.77 17.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 94.2 mt -48.86 -35.0 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.473 HD12 ' CD2' ' A' ' 8' ' ' LEU . 75.6 mt -78.43 -30.45 47.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 68' ' ' ARG . 71.6 mt -78.48 -19.27 53.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . -99.5 -0.85 39.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.29 -39.57 31.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -59.67 -14.73 15.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 110.263 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 76' ' ' ILE . 0.4 OUTLIER -115.12 -36.31 4.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.22 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.446 ' CD1' HD22 ' A' ' 15' ' ' LEU . 16.1 mt -39.0 142.84 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 12.3 ttt180 -162.62 144.34 10.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.248 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.489 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 5.8 m-85 -110.22 106.42 15.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.495 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 25.5 t -83.84 140.19 16.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.423 HG22 ' CD2' ' A' ' 44' ' ' LEU . 3.5 mm -128.31 74.58 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.439 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -58.12 -51.25 70.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 mttt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.471 ' CD2' HD12 ' A' ' 70' ' ' LEU . 64.4 mt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.486 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -43.93 -54.22 5.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.297 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -45.55 81.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.229 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -55.37 -52.1 64.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 50.2 t -66.4 -45.05 90.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.4 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 40.5 mt-10 -49.84 -52.15 34.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.29 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.33 -40.6 81.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.296 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 tp -59.86 -56.54 20.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.247 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.466 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.0 m-30 -42.37 -57.12 2.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 111.047 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.4 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 2.9 mt-10 -58.58 -51.14 71.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.44 -61.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -48.26 -54.52 13.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -55.75 -51.27 67.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.957 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -57.82 -42.66 84.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.382 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -60.81 -40.05 91.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.173 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.56 -37.72 82.18 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.2 pt -99.55 7.76 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.368 179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 21' ' ' ALA . 4.0 mmtt 51.52 60.18 4.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -111.3 126.49 54.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.44 27.57 3.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -141.32 170.0 24.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.561 1.163 . . . . 0.0 111.071 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 117.24 4.85 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 111.075 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.9 m -110.11 163.66 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.167 . . . . 0.0 109.356 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 92.4 m -103.33 144.08 31.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.423 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.466 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 48.5 mt -97.1 115.62 65.78 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.442 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.3 Cg_endo -74.97 113.06 3.71 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.479 1.778 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.759 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 22.4 m-85 -77.73 -33.3 1.0 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 111.051 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.759 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.2 Cg_endo -74.94 -69.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.533 1.807 . . . . 0.0 111.031 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 35' ' ' PRO . 55.7 mt -36.77 -49.48 0.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.38 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.442 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 6.4 m-85 -61.2 -47.24 87.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.587 1.179 . . . . 0.0 110.951 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 35' ' ' PRO . 1.9 mm-40 -60.35 -32.08 70.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.236 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.67 -36.02 62.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -124.17 66.77 1.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.6 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.4 m -76.15 -8.49 11.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -86.92 -23.13 25.26 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.586 1.179 . . . . 0.0 110.2 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -113.14 -56.37 2.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.238 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.1 mt -90.85 112.57 24.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.253 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.446 ' CZ ' HG13 ' A' ' 79' ' ' VAL . 46.0 p90 -164.19 162.53 22.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.569 HG21 ' CE1' ' A' ' 55' ' ' PHE . 6.4 t -103.46 147.44 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -134.39 -179.68 5.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.69 1.94 68.18 Favored Glycine 0 CA--C 1.528 0.895 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.2 mt -68.98 153.56 95.97 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.439 0.729 . . . . 0.0 109.255 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.08 178.49 7.21 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.466 1.771 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.21 138.0 38.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.4 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 70.13 30.05 70.03 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.554 1.159 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.4 ' CG1' ' C ' ' A' ' 52' ' ' GLY . 11.2 mt -150.43 96.43 3.43 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -162.12 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.457 1.767 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.569 ' CE1' HG21 ' A' ' 46' ' ' VAL . 8.7 t80 -109.54 86.96 2.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 57' ' ' ARG . 21.4 mmt85 -137.75 165.9 25.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.3 OUTLIER -36.0 126.18 0.67 Allowed Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.554 1.159 . . . . 0.0 110.31 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.47 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.04 1.42 7.78 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.558 1.82 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.486 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 27.4 p -96.91 6.1 49.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.042 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -123.0 -3.56 8.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.433 ' OH ' ' N ' ' A' ' 56' ' ' ARG . 5.6 m-85 -84.71 157.16 21.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.45 163.76 53.03 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.65 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 13.3 mt -57.64 -43.84 99.09 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.533 0.784 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.02 -32.13 5.61 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.459 1.768 . . . . 0.0 110.968 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.31 -42.92 92.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.339 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.4 mt -64.17 -52.03 60.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.02 -58.8 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 72' ' ' ALA . 5.0 mtp180 -49.88 -51.16 42.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 87.4 mt -50.89 -32.22 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.471 HD12 ' CD2' ' A' ' 8' ' ' LEU . 84.4 mt -80.87 -29.69 35.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 68.7 mt -80.99 -20.77 41.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . -97.32 -2.71 41.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.17 -43.99 21.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -54.89 -21.08 10.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 110.328 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 72' ' ' ALA . 6.4 mtt-85 -107.09 -37.23 6.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.418 ' C ' ' O ' ' A' ' 75' ' ' ARG . 19.9 mt -38.9 142.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.097 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 10.3 ttt180 -162.52 145.26 11.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.551 1.157 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.423 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 7.7 m-85 -109.65 107.33 17.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.446 HG13 ' CZ ' ' A' ' 45' ' ' TYR . 35.7 t -85.21 110.03 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.2 mm -100.55 60.19 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -44.59 -57.13 3.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.6 mttm . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 -179.985 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.471 ' CD2' HD11 ' A' ' 70' ' ' LEU . 32.2 mt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.478 ' HD3' ' CB ' ' A' ' 59' ' ' SER . 3.5 ttm180 -37.35 -56.81 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.478 ' CD ' ' HG3' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -54.14 -62.0 1.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 10' ' ' LYS . 4.5 mt-30 -38.52 -41.1 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.33 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.419 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 55.3 t -76.7 -44.95 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 10' ' ' LYS . 44.6 mt-10 -53.15 -48.83 67.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.276 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . 0.478 ' HG3' ' CD ' ' A' ' 10' ' ' LYS . 4.9 mm-40 -68.14 -40.54 82.42 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.554 1.159 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.3 tp -61.88 -51.86 66.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.476 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.6 m-30 -46.28 -54.48 8.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 3.0 mt-10 -59.44 -49.11 79.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.584 1.178 . . . . 0.0 110.308 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -42.3 -63.91 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -43.85 -61.81 1.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -51.96 -53.59 39.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -52.98 -38.71 62.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -67.87 -38.8 83.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.93 -16.46 61.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 109.253 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.8 pt -121.71 2.48 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 21' ' ' ALA . 4.0 mmmt 55.67 63.11 2.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.259 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -114.33 124.37 51.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -94.75 27.07 3.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -141.03 170.11 24.69 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 117.01 4.76 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.432 1.753 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.3 m -111.18 165.76 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.5 m -103.57 141.7 35.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 24.0 mt -97.76 123.71 50.79 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.405 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.4 Cg_endo -75.01 105.74 2.14 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.524 1.802 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.708 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 11.3 m-85 -80.5 -37.26 1.0 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 111.038 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.708 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.6 Cg_endo -74.96 -68.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.435 1.755 . . . . 0.0 111.032 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 35' ' ' PRO . 35.4 mt -36.49 -53.81 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.409 ' CD2' ' HE2' ' A' ' 55' ' ' PHE . 2.0 m-85 -50.57 -49.82 55.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -53.87 -36.9 63.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.381 179.895 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.36 -26.88 52.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.044 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -128.16 66.54 1.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.587 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.4 m -81.05 -9.52 11.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -85.96 -20.34 29.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.06 -50.58 2.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.071 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.402 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 75.2 mt -96.49 119.4 34.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.46 ' CE2' ' HG3' ' A' ' 81' ' ' LYS . 14.2 p90 -169.75 151.91 4.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.565 HG21 ' CE1' ' A' ' 55' ' ' PHE . 27.1 t -96.42 151.24 4.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 13.4 mt-10 -136.71 175.5 9.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.49 1.81 83.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.0 mt -70.41 152.58 95.46 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.545 0.791 . . . . 0.0 109.289 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.14 171.52 18.15 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.454 1.765 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -71.77 141.42 49.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.409 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 68.05 29.24 73.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.45 ' CG2' HD11 ' A' ' 69' ' ' ILE . 9.4 mt -150.69 97.35 3.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.412 0.713 . . . . 0.0 109.319 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.25 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.572 1.828 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.565 ' CE1' HG21 ' A' ' 46' ' ' VAL . 9.3 t80 -109.59 78.63 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' ARG . 17.7 mmt85 -129.63 165.33 22.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.207 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 56' ' ' ARG . 4.0 mtt180 -37.57 126.64 0.91 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 110.262 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.489 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.02 2.34 6.74 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.517 1.798 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.478 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 1.8 p -92.8 2.3 56.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.992 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.7 p -119.97 -9.04 9.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.429 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.489 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 6.9 m-30 -78.69 153.57 30.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.39 164.07 54.85 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.558 1.162 . . . . 0.0 111.025 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.65 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.4 mp -56.98 -43.73 99.52 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.464 0.744 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.99 -33.2 4.78 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.49 1.784 . . . . 0.0 110.97 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.8 -40.72 97.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 75.5 mt -66.37 -51.4 57.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.624 1.202 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -42.29 -59.15 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.376 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 72' ' ' ALA . 4.8 mtp180 -48.42 -52.9 19.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 110.287 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.45 HD11 ' CG2' ' A' ' 53' ' ' ILE . 89.4 mt -49.52 -39.62 14.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.471 HD11 ' CD2' ' A' ' 8' ' ' LEU . 83.6 mt -72.88 -27.47 61.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 68' ' ' ARG . 61.0 mt -81.89 -25.07 35.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -94.14 -3.42 51.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.4 1.063 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.426 ' CD ' ' O ' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -46.45 -39.07 10.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -57.93 -28.17 64.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.378 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 72' ' ' ALA . 4.6 mtt180 -99.99 -37.19 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.423 HD11 ' CG2' ' A' ' 69' ' ' ILE . 29.3 mt -38.82 143.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 12.4 ttt180 -161.09 145.23 13.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.424 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 4.9 m-85 -109.83 107.81 17.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.443 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 19.7 t -88.11 133.03 31.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.0 mm -125.23 72.9 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.46 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -55.73 -49.46 73.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.399 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.466 HD22 ' CD1' ' A' ' 70' ' ' LEU . 81.8 mt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.465 ' HD3' ' CB ' ' A' ' 59' ' ' SER . 1.1 ttm180 -41.22 -46.68 3.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.595 1.185 . . . . 0.0 110.398 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -63.96 -47.64 79.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.435 ' CB ' HD12 ' A' ' 70' ' ' LEU . 4.6 mt-30 -52.25 -43.38 64.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.49 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 48.8 t -75.38 -45.83 39.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.406 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 33.6 mt-10 -51.44 -45.88 62.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.26 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -70.71 -34.73 72.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.381 1.051 . . . . 0.0 110.276 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.447 HD23 ' CD1' ' A' ' 76' ' ' ILE . 1.1 tp -68.94 -60.08 2.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.477 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.7 m-30 -39.04 -52.57 1.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.406 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 5.5 mt-10 -63.35 -49.16 74.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.583 1.177 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.3 mtt180 -44.18 -62.63 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -46.47 -58.53 3.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.261 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -52.8 -51.84 59.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 110.97 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -57.38 -42.92 83.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -60.14 -42.62 95.26 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.428 1.08 . . . . 0.0 110.348 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.21 -35.81 74.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.237 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.5 pt -103.49 13.4 7.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' ALA . 1.4 mmpt? 44.59 62.74 1.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -114.76 122.4 46.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.88 28.55 2.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.91 170.5 24.25 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 116.67 4.66 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.446 1.761 . . . . 0.0 110.99 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.3 m -110.81 163.37 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.2 m -103.37 141.81 35.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.477 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 64.9 mt -99.22 117.2 64.44 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.435 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.1 Cg_endo -75.02 111.26 3.28 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.563 1.823 . . . . 0.0 111.041 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.731 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 12.3 m-85 -79.6 -36.39 1.06 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.731 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -75.04 -70.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.404 1.739 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 35' ' ' PRO . 33.6 mt -35.47 -51.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.252 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.58 ' CE1' ' HB3' ' A' ' 44' ' ' LEU . 2.7 m-85 -52.92 -51.3 61.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -49.49 -40.31 36.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.58 -30.08 65.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.97 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' PHE . 24.4 m-70 -128.13 71.8 1.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.61 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.3 m -81.3 -9.67 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -93.35 -11.96 31.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 1.076 . . . . 0.0 110.326 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -118.93 -50.16 2.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.58 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 49.6 mt -108.37 112.34 24.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.153 . . . . 0.0 109.349 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -167.74 157.21 10.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.592 ' CG2' ' CE1' ' A' ' 55' ' ' PHE . 27.7 t -98.64 145.0 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 3.9 mt-10 -132.25 179.66 5.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.174 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.05 1.8 69.73 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.5 1.125 . . . . 0.0 111.083 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.5 mt -67.16 153.13 95.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.444 0.732 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -179.99 5.53 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.574 1.829 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.26 139.78 37.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.209 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.422 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 69.32 28.87 72.16 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.538 1.149 . . . . 0.0 111.045 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.469 ' CG2' HD13 ' A' ' 69' ' ' ILE . 7.4 mt -150.72 97.3 3.28 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.446 0.733 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.405 ' O ' ' OH ' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.98 -161.39 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.592 ' CE1' ' CG2' ' A' ' 46' ' ' VAL . 9.4 t80 -109.34 79.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 57' ' ' ARG . 4.6 mmt-85 -129.9 165.2 22.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 110.354 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 56' ' ' ARG . 10.1 mtm180 -36.71 131.04 0.69 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.262 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.49 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.02 1.42 7.77 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.465 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -97.57 6.86 47.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.963 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.2 p -120.84 -6.3 9.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.405 ' OH ' ' O ' ' A' ' 54' ' ' PRO . 9.6 m-85 -86.5 153.74 21.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.064 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.7 164.53 54.61 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.647 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 4.9 mt -56.68 -43.87 99.53 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.53 0.782 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.6 Cg_endo -74.99 -33.44 4.59 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -64.58 -40.39 95.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 110.224 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 75.1 mt -66.23 -53.1 41.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.34 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -39.78 -57.41 1.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.437 1.085 . . . . 0.0 110.284 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.407 ' O ' ' N ' ' A' ' 71' ' ' LEU . 7.5 mtt-85 -50.97 -51.35 53.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.469 HD13 ' CG2' ' A' ' 53' ' ' ILE . 92.3 mt -50.73 -31.3 9.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.466 ' CD1' HD22 ' A' ' 8' ' ' LEU . 38.5 mt -81.98 -29.27 32.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 68' ' ' ARG . 75.1 mt -80.4 -15.88 55.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -103.19 -3.49 25.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.7 -40.18 8.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.236 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -55.96 -30.65 62.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.25 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 72' ' ' ALA . 1.0 OUTLIER -97.32 -36.63 10.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.263 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.447 ' CD1' HD23 ' A' ' 15' ' ' LEU . 17.3 mt -38.81 144.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 3.8 ttt85 -162.38 145.66 11.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.396 1.06 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.565 ' CZ ' HG22 ' A' ' 46' ' ' VAL . 3.8 m-85 -112.82 111.5 22.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.94 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 18.3 t -92.54 109.75 21.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 81' ' ' LYS . 7.0 mm -104.18 54.63 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.586 1.179 . . . . 0.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 80' ' ' ILE . 5.7 mttp -39.63 -59.22 1.16 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.437 HD22 ' CD1' ' A' ' 70' ' ' LEU . 62.7 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.494 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 1.9 ttm180 -39.15 -55.71 1.59 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.125 . . . . 0.0 110.339 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -54.59 -44.45 73.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 8' ' ' LEU . 4.3 mt-30 -56.75 -48.86 76.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 55.5 t -69.06 -48.95 66.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -46.81 -47.96 20.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.438 1.086 . . . . 0.0 110.363 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -70.9 -40.45 72.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 tp -61.1 -59.6 5.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -38.61 -54.48 1.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -61.01 -50.38 73.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.18 -62.26 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.353 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -49.23 -56.89 7.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -52.26 -54.3 33.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 111.038 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -54.69 -41.74 70.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -62.29 -39.32 92.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.39 -19.03 63.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.7 pt -121.04 8.54 6.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 21' ' ' ALA . 5.3 mmtt 52.04 59.31 4.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.69 119.8 40.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.69 29.51 2.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.169 . . . . 0.0 109.244 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.48 170.41 25.11 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 116.74 4.67 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.531 1.806 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.3 m -112.58 165.65 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.349 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.54 162.29 13.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.358 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.8 mt -121.45 115.11 31.34 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.355 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 116.72 4.67 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.798 . . . . 0.0 111.036 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.751 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 17.7 m-85 -76.62 -33.03 1.11 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.751 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.6 Cg_endo -74.97 -67.16 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 35' ' ' PRO . 81.8 mt -39.02 -45.96 1.29 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -70.82 -40.16 72.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 35' ' ' PRO . 0.6 OUTLIER -65.96 -39.27 90.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.155 . . . . 0.0 110.313 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.96 -27.99 60.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.039 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -125.18 70.54 1.17 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.56 1.162 . . . . 0.0 109.584 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.9 m -83.94 -6.18 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -89.74 -22.13 22.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.407 1.067 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -111.78 -52.53 2.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.604 1.19 . . . . 0.0 109.272 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.433 ' CD2' HG21 ' A' ' 80' ' ' ILE . 62.6 mt -98.67 114.55 27.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.576 1.173 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.504 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 11.6 p90 -161.9 149.84 14.8 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.563 1.165 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.557 HG23 ' CE1' ' A' ' 55' ' ' PHE . 5.2 t -94.25 147.96 5.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -132.38 179.57 6.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 110.31 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.87 1.69 68.33 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.9 mt -69.32 152.94 96.33 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.604 0.826 . . . . 0.0 109.363 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 175.22 11.52 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.549 1.815 . . . . 0.0 111.028 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.63 140.07 42.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.418 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 69.54 29.2 71.61 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.418 ' CG1' ' C ' ' A' ' 52' ' ' GLY . 8.0 mt -150.91 96.25 3.34 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . 0.428 ' O ' ' OH ' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -74.94 -160.11 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.494 1.786 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.557 ' CE1' HG23 ' A' ' 46' ' ' VAL . 16.5 t80 -110.98 88.57 2.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 57' ' ' ARG . 24.8 mmt-85 -139.11 165.83 26.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.219 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' ARG . 2.8 mtt180 -37.04 125.69 0.81 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.34 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.473 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -75.0 1.37 7.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.538 1.81 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.494 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 9.3 p -93.39 8.01 42.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.001 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.3 p -119.86 -34.78 3.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.074 . . . . 0.0 110.4 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.428 ' OH ' ' O ' ' A' ' 54' ' ' PRO . 11.4 m-85 -53.56 158.39 1.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -79.58 164.7 49.22 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.461 1.101 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.656 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 2.3 mp -56.97 -43.44 99.4 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.437 0.728 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.656 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.0 -35.62 3.03 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.512 1.796 . . . . 0.0 111.047 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.15 -39.72 94.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 71.2 mt -65.22 -54.28 31.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -38.79 -57.81 1.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 110.256 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 72' ' ' ALA . 4.1 mtp180 -49.53 -52.22 31.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.233 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.425 ' O ' ' CD1' ' A' ' 76' ' ' ILE . 86.6 mt -51.09 -30.86 10.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.483 ' O ' ' CD ' ' A' ' 73' ' ' LYS . 82.5 mt -82.22 -31.4 30.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.9 mt -78.01 -23.89 48.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -95.4 -3.7 46.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.483 ' CD ' ' O ' ' A' ' 70' ' ' LEU . 2.0 ptmt -43.27 -42.86 4.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.397 1.061 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -52.56 -36.97 56.89 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.482 ' N ' ' O ' ' A' ' 72' ' ' ALA . 2.3 mtm-85 -90.32 -38.8 13.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.444 ' C ' ' O ' ' A' ' 75' ' ' ARG . 12.8 mt -37.18 141.84 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.426 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 1.9 ttp180 -161.76 144.23 11.76 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.426 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 6.4 m-85 -109.48 110.32 21.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.504 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 31.7 t -88.91 136.8 22.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.433 HG21 ' CD2' ' A' ' 44' ' ' LEU . 3.6 mm -125.04 77.12 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . 0.428 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -60.03 -43.18 95.5 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.527 ' CD2' ' CD1' ' A' ' 70' ' ' LEU . 47.3 mt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.486 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 3.2 ttm180 -43.71 -50.19 7.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -60.94 -47.58 85.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.242 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -52.84 -41.09 63.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.465 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 48.7 t -74.71 -47.07 39.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . 0.402 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 59.2 mt-10 -53.0 -49.76 65.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.336 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -67.87 -37.39 81.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.418 HD23 ' CD1' ' A' ' 76' ' ' ILE . 0.8 OUTLIER -62.89 -53.49 53.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.435 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 3.4 m-30 -44.44 -58.4 2.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 2.0 mp0 -57.17 -47.51 81.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.41 -62.94 1.14 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.53 1.144 . . . . 0.0 110.238 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt -45.28 -55.82 5.5 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.444 1.09 . . . . 0.0 109.406 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -54.65 -54.54 40.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -52.04 -40.77 61.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -63.65 -38.43 91.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.3 -29.87 70.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.6 pt -107.99 6.02 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 21' ' ' ALA . 29.2 mmtt 53.18 60.85 3.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -112.65 124.47 52.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.593 1.183 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -94.53 28.48 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.388 1.055 . . . . 0.0 109.309 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.1 170.31 25.01 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 117.71 5.0 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 110.966 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.0 m -112.68 164.32 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.6 m -103.51 140.94 36.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 110.393 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.435 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 43.5 mt -93.95 123.06 60.53 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.459 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.5 Cg_endo -74.99 104.23 1.87 Allowed 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.515 1.797 . . . . 0.0 111.089 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.744 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 3.9 m-30 -75.63 -34.84 1.63 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.55 1.156 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.744 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -74.97 -65.58 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.463 1.77 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.9 mt -40.09 -47.81 2.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.459 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 3.6 m-85 -58.13 -49.43 77.01 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.57 -43.45 72.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.07 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.32 -33.48 65.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.996 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -123.89 67.97 1.04 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.597 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.429 ' CG1' ' O ' ' A' ' 37' ' ' PHE . 10.1 m -81.38 -8.61 11.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -94.14 -10.23 33.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.259 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -113.01 -44.06 3.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 8.2 mt -116.39 122.24 44.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.559 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 31.1 p90 -162.3 153.96 18.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 111.03 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.564 HG23 ' CE1' ' A' ' 55' ' ' PHE . 21.3 t -97.21 133.56 38.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 3.5 mt-10 -120.55 -179.55 4.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.338 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.46 2.02 67.06 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.553 1.158 . . . . 0.0 111.048 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.2 mt -68.66 152.55 96.63 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.75 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -177.44 3.48 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.401 1.737 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -82.52 138.13 34.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.242 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.409 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 70.2 29.87 70.04 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.413 1.071 . . . . 0.0 110.925 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.476 ' CG2' HD12 ' A' ' 69' ' ' ILE . 8.2 mt -150.29 95.33 3.58 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -161.96 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.472 1.775 . . . . 0.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.564 ' CE1' HG23 ' A' ' 46' ' ' VAL . 18.4 t80 -109.49 88.34 2.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.47 ' O ' ' C ' ' A' ' 57' ' ' ARG . 17.0 mmt85 -140.21 166.36 24.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.47 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.6 OUTLIER -33.61 120.14 0.48 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.351 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.476 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.96 1.28 7.89 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.454 1.766 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.486 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 1.2 p -96.97 4.5 51.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.006 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.32 -6.02 9.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.431 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.476 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 4.9 m-85 -78.65 160.92 27.28 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.461 1.1 . . . . 0.0 111.072 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.0 163.23 52.21 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.648 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 41.2 mt -58.09 -43.87 98.79 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.749 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.01 -33.2 4.75 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.469 1.773 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -62.83 -42.28 99.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.403 HD23 ' CB ' ' A' ' 61' ' ' TYR . 94.1 mt -65.41 -55.07 20.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.413 ' CG ' HD13 ' A' ' 8' ' ' LEU . 3.3 mt-10 -38.02 -55.65 1.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 71' ' ' LEU . 6.3 mtp180 -53.14 -54.14 40.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 110.302 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.476 HD12 ' CG2' ' A' ' 53' ' ' ILE . 93.1 mt -47.35 -34.08 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.527 ' CD1' ' CD2' ' A' ' 8' ' ' LEU . 71.3 mt -77.68 -35.48 52.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.418 1.073 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 68' ' ' ARG . 82.2 mt -74.21 -21.22 59.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -97.55 -5.06 36.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.228 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.42 ' CG ' ' O ' ' A' ' 70' ' ' LEU . 1.3 ptmt -43.53 -48.9 7.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -48.81 -33.1 9.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 72' ' ' ALA . 1.8 mtm180 -93.15 -38.22 11.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.577 1.173 . . . . 0.0 110.315 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' A' ' 75' ' ' ARG . 14.7 mt -38.62 141.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.442 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 8.4 ttt180 -163.5 144.0 8.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.506 ' CZ ' ' CG2' ' A' ' 46' ' ' VAL . 7.2 m-85 -108.2 111.7 23.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 111.035 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.559 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 24.4 t -91.56 108.69 20.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . 0.415 HG21 ' CD2' ' A' ' 44' ' ' LEU . 7.0 mm -101.34 82.49 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -60.89 3.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 4.2 mmtt . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 179.981 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' LEU . . . . . 0.468 HD22 ' CD1' ' A' ' 70' ' ' LEU . 19.5 mt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.48 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 1.1 ttm180 -41.2 -44.94 2.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.302 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.9 tptp -64.72 -44.23 90.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.382 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 8' ' ' LEU . 4.7 mt-30 -56.61 -44.82 81.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 110.275 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . 0.448 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 46.6 t -74.75 -42.34 47.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -55.98 -49.01 74.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.256 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -69.61 -40.53 76.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.181 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.1 tp -60.06 -50.2 74.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.484 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.5 m-30 -48.24 -63.1 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . 0.401 ' N ' HD12 ' A' ' 32' ' ' ILE . 2.4 mt-10 -49.74 -49.0 49.75 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.556 1.16 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.08 -66.68 0.35 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -41.88 -60.56 1.35 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -49.96 -49.43 50.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -59.36 -40.44 86.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -60.51 -44.27 96.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.97 -31.04 66.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.9 pt -110.03 16.11 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.31 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' ALA . 6.2 mtmt 40.7 60.67 1.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -106.6 121.72 44.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -93.83 29.65 2.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -143.25 170.05 25.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.581 1.176 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 116.82 4.71 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 0.0 111.024 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.5 m -112.14 164.41 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 98.2 m -103.34 144.55 31.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.397 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.484 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 21.4 mt -98.31 120.43 59.55 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.454 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.3 Cg_endo -74.97 107.3 2.45 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.522 1.801 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' TYR . . . . . 0.715 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 11.8 m-85 -80.02 -37.08 1.06 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PRO . . . . . 0.715 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.5 Cg_endo -75.01 -69.45 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.528 1.804 . . . . 0.0 111.011 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 35' ' ' PRO . 34.3 mt -35.59 -51.9 0.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.244 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 44' ' ' LEU . 2.1 m-85 -52.04 -51.31 58.31 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 35' ' ' PRO . 6.1 mm-40 -54.01 -37.45 64.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.26 -32.66 63.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.02 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -127.13 67.69 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.611 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.9 m -79.81 -11.28 12.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -85.3 -13.8 48.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.33 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -116.45 -59.64 1.95 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.229 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LEU . . . . . 0.462 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 10.9 mt -93.85 123.59 37.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' TYR . . . . . 0.541 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 43.0 p90 -169.76 157.04 6.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' VAL . . . . . 0.617 ' CG2' ' CE1' ' A' ' 55' ' ' PHE . 55.5 t -102.22 138.53 26.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -127.49 -178.04 4.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.347 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.92 1.6 68.3 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.5 mt -68.14 156.36 90.05 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -169.29 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 110.97 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -89.19 137.38 32.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.264 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' GLY . . . . . 0.4 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 69.55 31.84 71.03 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.425 1.078 . . . . 0.0 110.913 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ILE . . . . . 0.4 ' CG1' ' C ' ' A' ' 52' ' ' GLY . 11.1 mt -150.42 97.09 3.36 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.455 0.738 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -163.36 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.475 1.776 . . . . 0.0 110.974 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PHE . . . . . 0.617 ' CE1' ' CG2' ' A' ' 46' ' ' VAL . 13.5 t80 -109.24 80.41 1.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.098 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 57' ' ' ARG . 29.2 mmt-85 -130.22 165.43 22.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.496 ' O ' ' CG2' ' A' ' 60' ' ' THR . 5.7 mtt180 -38.72 124.84 1.18 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PRO . . . . . 0.514 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.02 3.67 5.43 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.53 1.805 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' SER . . . . . 0.48 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 5.1 p -94.38 8.51 41.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -132.9 7.31 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.415 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' TYR . . . . . 0.514 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 3.1 m-30 -91.18 156.84 17.56 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.17 163.16 54.89 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.491 1.12 . . . . 0.0 111.049 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ILE . . . . . 0.64 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 5.1 mt -57.46 -44.24 99.46 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.525 0.78 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.5 Cg_endo -74.88 -33.74 4.52 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.502 1.79 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.49 -38.78 91.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.247 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 82.1 mt -70.14 -48.95 55.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -48.06 -62.4 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.319 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -42.66 -56.03 3.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.259 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.469 HG23 ' CD1' ' A' ' 76' ' ' ILE . 77.8 mt -46.26 -46.75 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.349 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' LEU . . . . . 0.468 ' CD1' HD22 ' A' ' 8' ' ' LEU . 85.5 mt -61.83 -34.43 75.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' ARG . 28.7 mt -80.24 -15.48 56.89 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -100.96 -8.57 22.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LYS . . . . . 0.462 ' CD ' ' O ' ' A' ' 70' ' ' LEU . 2.0 ptmt -42.37 -51.59 4.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.232 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -45.53 -32.72 2.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 110.325 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 72' ' ' ALA . 6.6 mtt180 -93.72 -39.09 10.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.469 ' CD1' HG23 ' A' ' 69' ' ' ILE . 25.3 mt -38.65 143.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ARG . . . . . 0.45 ' N ' HG21 ' A' ' 76' ' ' ILE . 1.4 ttt-85 -160.82 145.53 14.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' PHE . . . . . 0.562 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 5.3 m-85 -112.28 113.84 26.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' VAL . . . . . 0.541 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 21.2 t -94.34 103.47 14.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 0.0 109.378 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.0 mm -95.11 63.54 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -46.0 -60.77 2.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.239 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.451 1.095 . . . . 0.0 109.35 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 p -114.59 126.19 54.63 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.571 0.806 . . . . 0.0 110.033 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.7 p -140.55 163.35 33.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 110.015 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.93 -57.89 0.68 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.513 1.133 . . . . 0.0 111.049 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.1 t -66.65 101.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 109.976 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 59.66 109.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.093 . . . . 0.0 110.012 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.09 142.87 11.5 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 111.075 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 24.6 mt -40.46 -66.56 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 0.735 . . . . 0.0 109.315 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.489 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 2.3 ttm180 -40.61 -57.64 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.342 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.16 -45.1 68.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.9 mt-30 -55.45 -48.1 75.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.405 HG22 ' CD2' ' A' ' 66' ' ' LEU . 51.2 t -70.69 -46.14 70.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.415 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 31.9 mt-10 -49.61 -48.41 49.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.451 1.095 . . . . 0.0 110.28 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -70.1 -34.63 73.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.459 HD23 ' CD1' ' A' ' 76' ' ' ILE . 3.5 tp -66.88 -58.63 4.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.348 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.451 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.6 m-30 -42.17 -57.04 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.415 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 4.2 mt-10 -60.15 -46.55 89.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -47.25 -63.46 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 33.8 mmtt -47.77 -54.14 13.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -54.55 -49.69 69.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 110.997 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -57.02 -39.53 74.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -61.25 -44.42 97.27 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.453 1.096 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.51 -19.37 36.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.4 pt -123.14 16.52 5.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 21' ' ' ALA . 4.3 mttm 41.36 58.57 2.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -106.03 121.05 43.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.58 1.175 . . . . 0.0 109.28 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.83 19.42 8.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -131.13 170.22 21.43 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.563 1.165 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 117.24 4.85 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.449 1.763 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.9 m -111.45 159.99 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.266 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.9 m -103.75 140.27 37.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.376 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 57.2 mt -97.83 114.22 64.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 114.11 3.95 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.719 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 12.0 m-85 -72.08 -36.18 3.96 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.608 1.193 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.719 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.2 Cg_endo -75.03 -63.42 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.525 1.802 . . . . 0.0 110.962 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 34.3 mt -40.48 -38.67 0.88 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.401 ' CD2' ' HE2' ' A' ' 55' ' ' PHE . 8.5 m-85 -79.78 -39.77 30.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 35' ' ' PRO . 1.8 tt0 -65.46 -45.28 84.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.04 -27.78 64.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.056 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -128.21 72.2 1.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.675 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.8 m -85.64 -9.53 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -89.59 -1.12 57.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -129.18 -53.48 1.19 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.5 mt -104.95 112.27 25.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.26 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.557 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 19.2 p90 -155.47 152.98 29.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.556 HG22 ' CE1' ' A' ' 55' ' ' PHE . 5.6 t -96.05 141.42 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.238 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -128.29 177.9 6.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.26 1.51 75.29 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.427 HD11 ' CG1' ' A' ' 46' ' ' VAL . 49.5 mt -68.94 154.79 94.6 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.557 0.798 . . . . 0.0 109.295 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -173.45 1.57 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.426 1.75 . . . . 0.0 111.041 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -86.46 139.65 30.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 110.334 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.413 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 69.95 29.29 70.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.434 ' CG2' HD12 ' A' ' 69' ' ' ILE . 7.6 mt -150.27 95.67 3.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.42 ' O ' ' OH ' ' A' ' 61' ' ' TYR . 18.0 Cg_endo -75.07 -160.71 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.777 . . . . 0.0 110.939 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.556 ' CE1' HG22 ' A' ' 46' ' ' VAL . 18.9 t80 -109.66 91.52 3.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.444 ' N ' ' OH ' ' A' ' 61' ' ' TYR . 82.6 mmt-85 -143.53 165.78 26.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.282 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -37.89 125.51 0.99 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 110.254 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.467 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.99 1.56 7.6 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.472 1.775 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.489 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 84.0 p -88.73 8.52 28.38 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.509 1.131 . . . . 0.0 110.047 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.6 p -121.67 -40.38 2.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.434 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.467 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 13.4 m-85 -45.81 150.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.06 164.1 54.67 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.647 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.4 mp -56.19 -44.0 99.51 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.549 0.794 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.95 -31.85 5.96 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.479 1.778 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -39.05 91.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.253 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.405 ' CD2' HG22 ' A' ' 12' ' ' VAL . 56.8 mt -66.32 -54.15 28.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -39.63 -54.93 1.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.266 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' LEU . 5.2 mtp180 -52.75 -52.97 54.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.434 HD12 ' CG2' ' A' ' 53' ' ' ILE . 86.9 mt -49.88 -34.84 9.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 69.7 mt -77.46 -28.25 52.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 68' ' ' ARG . 66.5 mt -80.49 -16.68 53.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -103.84 -3.37 24.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.82 -40.22 9.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -56.47 -31.0 63.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 72' ' ' ALA . 2.1 mmm180 -96.83 -36.8 10.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.459 ' CD1' HD23 ' A' ' 15' ' ' LEU . 17.5 mt -38.68 142.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -161.63 148.33 14.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.327 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.495 ' CZ ' HG22 ' A' ' 46' ' ' VAL . 8.5 m-85 -114.31 113.27 24.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.557 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 36.8 t -95.52 115.72 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 10.7 mm -105.03 73.38 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.88 -60.31 3.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.371 1.044 . . . . 0.0 109.262 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -99.64 120.28 39.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.5 m-70 -88.46 -53.67 4.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.674 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -49.34 -41.54 39.11 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 14.4 mt -44.85 -34.83 2.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 109.37 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 75.2 mt -70.14 -67.19 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.339 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -43.54 159.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 64.81 113.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.027 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 178.75 -36.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.418 1.074 . . . . 0.0 110.416 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.41 -38.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.272 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 61.23 154.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 65.03 125.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.578 1.173 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.09 -66.88 0.89 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.87 116.4 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.983 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 165.3 -160.44 33.78 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 178.42 7.3 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.534 1.807 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 99.8 p -116.08 123.17 47.24 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.448 1.092 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.4 79.3 1.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.95 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.455 1.097 . . . . 0.0 110.948 179.918 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.1 p -146.59 141.54 27.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 0.792 . . . . 0.0 109.966 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.29 110.81 4.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.71 -88.27 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.445 1.09 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.4 159.55 0.69 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 0.773 . . . . 0.0 109.95 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.63 111.0 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.039 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.57 76.06 1.13 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.468 HD21 ' CD1' ' A' ' 70' ' ' LEU . 32.1 mt -51.88 -53.72 37.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 0.747 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.477 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 1.1 ttm180 -47.2 -54.02 11.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.267 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -55.34 -41.93 73.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.6 mt-30 -59.1 -50.6 73.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.34 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.483 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 52.7 t -68.18 -42.36 84.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -51.26 -53.1 38.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -67.71 -40.13 84.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.273 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.1 tp -60.92 -58.08 9.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.621 1.201 . . . . 0.0 109.313 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.486 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 1.9 m-30 -40.58 -57.5 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -55.21 -50.58 69.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.145 . . . . 0.0 110.33 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.66 -68.28 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 53.3 mmtt -40.51 -60.99 0.99 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -51.81 -49.64 62.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.072 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -58.88 -39.53 81.71 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -65.59 -40.8 93.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.39 -17.86 60.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.6 pt -122.62 10.54 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 21' ' ' ALA . 2.2 mtmp? 46.35 62.57 2.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -112.59 122.72 48.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.247 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.46 24.32 4.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -136.21 170.22 23.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 116.87 4.72 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.395 1.734 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.9 m -111.17 165.12 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 95.6 m -103.37 145.54 29.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 110.383 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.486 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 38.3 mt -101.98 119.79 55.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.364 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.482 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.2 Cg_endo -74.98 107.83 2.58 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.446 1.761 . . . . 0.0 111.008 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.706 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 6.9 m-85 -80.45 -37.76 1.05 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 110.942 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.706 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.5 Cg_endo -74.95 -68.68 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.424 1.749 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 35' ' ' PRO . 41.5 mt -36.04 -51.24 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.367 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 2.0 m-85 -52.26 -50.77 61.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 35' ' ' PRO . 3.3 mm-40 -50.69 -37.26 40.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.23 -28.52 57.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.966 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -129.37 68.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.602 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.2 m -81.51 -11.91 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -79.14 -36.62 40.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -102.7 -55.43 2.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.4 mt -90.42 111.56 22.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.357 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.517 ' CZ ' HG13 ' A' ' 79' ' ' VAL . 47.8 p90 -166.41 162.99 17.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 110.99 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.57 HG21 ' CE1' ' A' ' 55' ' ' PHE . 24.7 t -105.84 150.21 8.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 10.1 mt-10 -137.82 179.56 6.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.26 1.81 70.92 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.1 mt -70.18 153.79 95.01 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 109.238 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 178.58 7.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.527 1.804 . . . . 0.0 110.952 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.03 138.66 38.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.405 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 70.14 29.59 70.36 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.405 ' CG1' ' C ' ' A' ' 52' ' ' GLY . 10.5 mt -150.68 95.92 3.42 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.448 0.734 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.514 1.797 . . . . 0.0 110.971 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.57 ' CE1' HG21 ' A' ' 46' ' ' VAL . 10.7 t80 -109.32 85.42 2.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 57' ' ' ARG . 76.5 mmt-85 -135.71 165.52 25.38 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.539 1.15 . . . . 0.0 110.308 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' ARG . 1.0 OUTLIER -36.94 127.71 0.76 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.413 1.07 . . . . 0.0 110.289 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.483 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.98 0.69 8.6 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.524 1.802 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.477 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -96.33 9.0 42.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -128.47 4.71 5.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.39 -179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.417 ' OH ' ' N ' ' A' ' 56' ' ' ARG . 4.9 m-85 -93.54 156.78 16.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.58 163.5 53.7 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.533 1.145 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.638 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 7.4 mt -57.0 -44.44 99.79 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.437 0.728 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.0 -32.82 5.05 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.525 1.803 . . . . 0.0 111.04 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.5 mtt180 -65.01 -39.5 93.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.27 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 85.3 mt -68.18 -50.94 51.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.244 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.409 ' CG ' HD13 ' A' ' 8' ' ' LEU . 0.8 OUTLIER -42.1 -60.52 1.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 72' ' ' ALA . 4.5 mtp180 -47.07 -53.04 13.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.429 ' O ' ' CD1' ' A' ' 76' ' ' ILE . 87.7 mt -48.93 -33.61 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.468 ' CD1' HD21 ' A' ' 8' ' ' LEU . 76.7 mt -80.59 -32.05 36.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 68' ' ' ARG . 36.1 mt -78.96 -14.86 58.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -105.6 -2.88 22.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.7 ptmt -44.08 -46.67 8.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.342 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -50.42 -32.48 17.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 72' ' ' ALA . 3.2 mtm180 -94.27 -39.18 10.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.071 . . . . 0.0 110.342 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.431 ' C ' ' O ' ' A' ' 75' ' ' ARG . 17.9 mt -37.98 143.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -161.09 146.2 14.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.285 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.423 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 3.0 m-85 -112.0 107.5 16.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.926 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.517 HG13 ' CZ ' ' A' ' 45' ' ' TYR . 41.4 t -85.15 117.5 30.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.418 HG21 ' CE1' ' A' ' 83' ' ' HIS . 4.9 mm -112.26 65.95 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.373 1.046 . . . . 0.0 109.311 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 5.0 mttt -54.05 -53.1 57.68 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.47 ' CB ' ' CD1' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -105.25 116.86 32.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.354 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.418 ' CE1' HG21 ' A' ' 80' ' ' ILE . 32.0 m-70 -87.35 -54.07 4.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.575 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.443 ' CG ' ' N ' ' A' ' 85' ' ' LEU . 10.7 pt-20 -44.67 -45.13 9.53 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.551 1.157 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.47 ' CD1' ' CB ' ' A' ' 82' ' ' LYS . 26.9 mt -44.37 -27.43 0.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.412 ' N ' ' C ' ' A' ' 84' ' ' GLU . 64.1 mt -70.88 -58.92 3.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 50.56 93.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.333 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 87.9 p -162.53 92.19 0.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.045 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 10.0 t -115.61 61.71 0.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 60.49 93.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -174.87 90.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.26 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -54.87 124.08 15.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.204 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.22 114.15 9.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.6 116.22 6.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.098 . . . . 0.0 109.918 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 169.69 153.69 8.72 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.507 1.13 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 170.97 19.25 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 110.983 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.6 m -132.47 115.54 15.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.012 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.4 t -119.57 148.91 42.76 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.543 1.152 . . . . 0.0 109.963 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 111.037 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.42 165.58 26.43 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.557 0.798 . . . . 0.0 109.998 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.4 m -150.17 81.72 1.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 110.019 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.87 159.41 7.96 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 m -78.22 136.74 37.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 0.782 . . . . 0.0 109.921 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.95 -61.06 1.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.96 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.83 135.55 1.92 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.494 1.122 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.464 ' CD1' ' O ' ' A' ' 63' ' ' ILE . 30.6 mt -42.5 -68.01 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.401 0.706 . . . . 0.0 109.245 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.446 ' HD3' ' CB ' ' A' ' 59' ' ' SER . 0.7 OUTLIER -38.0 -56.06 1.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 110.214 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -55.41 -48.34 74.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.257 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.5 mt-30 -53.16 -55.86 20.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.278 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.501 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 54.0 t -62.41 -43.07 97.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -49.66 -56.99 8.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.247 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.64 -36.58 81.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.46 HD21 ' CD1' ' A' ' 76' ' ' ILE . 1.7 tp -64.94 -63.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.404 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 3.1 m-30 -38.22 -56.5 1.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.62 -45.47 92.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.406 1.066 . . . . 0.0 110.244 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.9 mtt-85 -48.44 -62.45 1.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 110.347 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -47.08 -55.97 7.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -53.74 -49.33 68.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.439 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -58.04 -40.82 81.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -59.2 -44.03 92.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 110.342 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.03 -26.45 62.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.236 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.1 pt -114.9 16.03 7.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 21' ' ' ALA . 4.7 mttp 42.74 57.16 3.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -101.4 125.22 48.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -98.32 27.37 4.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.9 170.69 25.16 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 116.79 4.69 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.564 1.823 . . . . 0.0 111.016 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.7 m -111.34 162.53 8.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.233 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 94.1 m -104.1 143.66 32.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.404 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.404 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 66.0 mt -100.3 113.03 65.25 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.349 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 114.35 4.01 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.725 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 17.5 m-85 -73.21 -35.84 2.94 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.725 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.4 Cg_endo -74.86 -58.7 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.51 1.794 . . . . 0.0 111.067 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 26.9 mt -45.51 -40.28 8.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.464 ' O ' ' CG1' ' A' ' 41' ' ' VAL . 8.9 m-85 -78.11 -31.01 49.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.412 ' N ' ' O ' ' A' ' 35' ' ' PRO . 41.4 tp60 -69.85 -49.35 53.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.143 . . . . 0.0 110.251 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.63 -29.87 68.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.409 1.068 . . . . 0.0 110.052 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -123.32 76.2 1.37 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.071 . . . . 0.0 109.554 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.464 ' CG1' ' O ' ' A' ' 37' ' ' PHE . 3.5 m -90.59 -14.48 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -84.27 -5.88 59.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.62 -58.43 1.59 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.448 ' CD1' HD21 ' A' ' 86' ' ' LEU . 27.0 mt -98.88 117.33 33.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.406 1.066 . . . . 0.0 109.363 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.554 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 40.4 p90 -160.64 155.88 24.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.564 HG22 ' CE1' ' A' ' 55' ' ' PHE . 15.4 t -100.82 142.89 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 9.1 mt-10 -131.38 -179.96 5.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.316 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.8 1.83 68.44 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.443 HD11 ' CG1' ' A' ' 46' ' ' VAL . 63.2 mt -70.46 152.95 95.35 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.555 0.797 . . . . 0.0 109.35 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 177.16 8.96 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.556 1.819 . . . . 0.0 111.017 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.0 141.21 40.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.411 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 68.44 29.27 72.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.455 ' CG2' HD11 ' A' ' 69' ' ' ILE . 8.7 mt -150.7 96.41 3.37 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.574 0.808 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.04 -162.85 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.486 1.782 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.564 ' CE1' HG22 ' A' ' 46' ' ' VAL . 9.1 t80 -107.54 84.06 1.9 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.436 ' N ' ' OH ' ' A' ' 61' ' ' TYR . 0.8 OUTLIER -134.56 165.14 25.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' ARG . 6.2 mtt180 -37.92 133.42 0.88 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.501 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.97 1.92 7.19 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.472 1.775 . . . . 0.0 111.038 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.446 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -97.23 8.37 44.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.987 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 19.0 p -125.7 5.36 7.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 110.382 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.436 ' OH ' ' N ' ' A' ' 56' ' ' ARG . 8.6 m-85 -99.13 148.5 24.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.05 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.34 164.14 48.1 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.113 . . . . 0.0 111.072 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.644 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 29.4 mt -55.58 -44.19 99.53 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.532 0.784 . . . . 0.0 109.307 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.98 -33.12 4.85 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.48 1.779 . . . . 0.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 3.1 mtt180 -61.82 -43.63 98.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 87.0 mt -64.64 -52.97 54.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -40.41 -60.09 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.452 ' O ' ' N ' ' A' ' 72' ' ' ALA . 4.5 mtp180 -48.36 -52.3 22.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.267 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.455 HD11 ' CG2' ' A' ' 53' ' ' ILE . 95.5 mt -49.71 -34.31 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.458 ' CD1' HD22 ' A' ' 8' ' ' LEU . 81.2 mt -78.23 -33.87 49.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 32.1 mt -76.34 -22.61 54.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . -95.45 -3.34 47.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.252 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -47.34 -44.0 23.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -54.26 -18.92 4.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 72' ' ' ALA . 20.0 mmt180 -109.61 -37.41 5.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.328 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.46 ' CD1' HD21 ' A' ' 15' ' ' LEU . 20.8 mt -39.12 143.9 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.42 ' N ' HG23 ' A' ' 76' ' ' ILE . 4.9 ttt180 -161.69 147.74 13.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.337 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.562 ' CZ ' HG22 ' A' ' 46' ' ' VAL . 8.2 m-85 -115.3 105.71 13.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.127 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.554 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 21.8 t -84.23 126.12 40.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.6 mm -118.05 87.85 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -55.99 8.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.465 ' CB ' ' CD1' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -107.19 114.05 27.86 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.504 1.128 . . . . 0.0 109.368 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -81.42 -53.56 6.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.653 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 85' ' ' LEU . 11.2 pt-20 -44.18 -44.32 7.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.465 ' CD1' ' CB ' ' A' ' 82' ' ' LYS . 36.8 mt -44.0 -30.01 0.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.233 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.448 HD21 ' CD1' ' A' ' 44' ' ' LEU . 66.1 mt -76.77 -62.88 1.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.421 1.076 . . . . 0.0 109.253 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 65.32 109.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.41 79.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.026 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.3 p -79.3 -37.56 37.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 0.0 110.371 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -143.36 128.62 18.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.23 146.66 37.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.595 1.185 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -143.38 133.61 24.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -155.87 102.12 2.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.95 149.59 44.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 117.53 112.38 2.61 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -50.38 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.407 1.741 . . . . 0.0 110.946 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 37.9 m 50.92 99.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.043 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.8 p -150.64 136.53 18.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.02 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.952 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 p -76.32 131.56 39.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 109.938 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.8 m -62.65 162.68 10.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.074 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.57 -90.15 2.14 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 p 59.83 166.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 0.733 . . . . 0.0 110.001 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.1 t -81.35 133.82 35.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.455 1.097 . . . . 0.0 109.998 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.16 154.1 24.78 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.472 HD22 ' CD1' ' A' ' 70' ' ' LEU . 52.9 mt -42.43 -57.73 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.769 . . . . 0.0 109.232 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.482 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 2.2 ttm180 -45.57 -57.85 3.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -52.05 -44.05 64.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.424 ' CB ' HD22 ' A' ' 70' ' ' LEU . 5.1 mt-30 -56.38 -49.67 73.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 110.298 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 51.1 t -68.51 -45.06 82.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -50.45 -51.91 42.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -68.74 -40.19 79.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.2 tp -60.27 -56.94 15.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.464 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 1.8 m-30 -41.24 -56.96 2.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 111.031 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -57.09 -49.96 74.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -42.17 -63.43 0.75 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 46.0 mmtt -45.87 -57.89 3.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 109.28 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -52.76 -46.83 67.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.404 1.065 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.421 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -60.52 -39.04 86.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.362 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -62.47 -44.03 97.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.345 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.51 -18.12 37.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.5 pt -123.14 15.05 5.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.373 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 21' ' ' ALA . 5.1 mttt 42.83 58.87 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.409 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -107.79 125.16 51.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -96.39 13.29 28.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -124.77 170.47 16.79 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.485 1.116 . . . . 0.0 111.028 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 117.17 4.81 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.386 1.73 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.4 m -110.96 163.18 7.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.573 1.171 . . . . 0.0 109.274 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 65.6 m -103.45 141.99 35.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.481 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.464 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 67.1 mt -96.95 119.79 62.81 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.385 1.053 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.435 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.4 Cg_endo -75.02 106.74 2.33 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.504 1.791 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.717 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 7.9 m-85 -76.59 -37.21 1.87 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.581 1.176 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.717 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.4 Cg_endo -75.02 -65.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.789 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.433 ' O ' ' CD2' ' A' ' 40' ' ' HIS . 10.2 mt -38.05 -48.47 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.435 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 3.5 m-85 -59.97 -47.33 86.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 111.029 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 35' ' ' PRO . 1.7 mm-40 -54.28 -38.31 65.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.35 -16.89 35.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.041 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.433 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 54.1 m-70 -130.02 63.19 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.596 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 13.8 m -85.26 -12.36 11.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -84.97 -13.94 49.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.331 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 19.1 m-20 -125.18 -53.45 1.62 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.53 1.144 . . . . 0.0 109.358 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.44 ' CD1' HD21 ' A' ' 86' ' ' LEU . 45.5 mt -96.25 112.74 24.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 46.2 p90 -163.26 162.88 25.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 111.023 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.561 ' CG2' ' CE1' ' A' ' 55' ' ' PHE . 31.9 t -106.91 140.97 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -129.01 -178.74 4.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.332 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.39 1.6 70.84 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.548 1.155 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.3 mt -70.05 156.18 92.24 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 0.0 109.307 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.96 -177.86 3.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.436 1.756 . . . . 0.0 110.986 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -81.12 137.73 35.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.13 30.4 69.76 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.56 1.162 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.461 ' CG2' HD12 ' A' ' 69' ' ' ILE . 10.8 mt -150.49 95.38 3.53 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.777 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.94 -161.47 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.545 1.813 . . . . 0.0 111.087 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.561 ' CE1' ' CG2' ' A' ' 46' ' ' VAL . 17.6 t80 -109.57 89.31 2.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 57' ' ' ARG . 25.6 mmt85 -139.94 166.1 25.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -36.07 125.36 0.69 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.47 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.03 1.13 8.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.482 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 54.2 p -95.56 3.89 53.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 110.002 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.48 -9.2 9.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.413 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.432 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 6.4 m-85 -79.11 157.94 27.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.07 163.75 52.42 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.564 1.165 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.651 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 62.7 mt -57.78 -43.6 98.81 Favored Pre-proline 0 C--N 1.327 -0.413 0 O-C-N 124.462 0.742 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -75.02 -32.51 5.29 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.457 1.767 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.06 -41.75 94.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.237 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 96.1 mt -65.25 -50.71 64.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.325 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.431 ' CG ' HD13 ' A' ' 8' ' ' LEU . 0.4 OUTLIER -41.89 -59.63 1.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.293 179.999 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 72' ' ' ALA . 2.7 mtt-85 -49.19 -50.45 37.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.461 HD12 ' CG2' ' A' ' 53' ' ' ILE . 92.9 mt -52.38 -32.98 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.472 ' CD1' HD22 ' A' ' 8' ' ' LEU . 80.3 mt -79.15 -28.27 42.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.6 mt -84.95 -13.2 51.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -104.44 -4.64 22.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.613 1.196 . . . . 0.0 109.348 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -44.81 -43.91 9.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.401 1.063 . . . . 0.0 109.297 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -52.86 -31.27 38.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 72' ' ' ALA . 2.4 mtt180 -95.97 -38.86 10.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.433 ' C ' ' O ' ' A' ' 75' ' ' ARG . 20.1 mt -37.74 142.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 10.0 ttt180 -160.55 145.63 14.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.555 ' CZ ' HG22 ' A' ' 46' ' ' VAL . 5.5 m-85 -112.34 109.74 19.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 110.94 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 30.7 t -88.35 119.78 36.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.405 1.066 . . . . 0.0 109.284 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.5 mm -109.4 60.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.5 mttt -44.7 -57.8 3.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.408 1.067 . . . . 0.0 109.272 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -107.91 122.07 46.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 13.9 m-70 -86.49 -58.95 2.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.638 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.448 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 23.0 pt-20 -45.49 -41.1 9.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.344 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.1 mt -43.5 -30.09 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.44 HD21 ' CD1' ' A' ' 44' ' ' LEU . 87.6 mt -59.09 -76.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 84' ' ' GLU . 13.4 p30 39.12 60.19 1.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.18 131.43 28.26 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.401 1.063 . . . . 0.0 110.002 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.9 t -110.88 -32.1 6.94 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.507 1.129 . . . . 0.0 110.423 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 42.53 80.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.321 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -102.04 74.46 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -136.95 136.54 38.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -147.13 119.97 8.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 97.9 p -128.85 98.28 4.92 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.504 1.128 . . . . 0.0 110.067 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 118.12 167.69 14.16 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -49.18 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.407 1.74 . . . . 0.0 110.98 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 43.0 t 63.3 125.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 t -169.61 160.24 8.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.989 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.54 139.74 1.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 0.733 . . . . 0.0 110.047 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.0 t -137.99 100.4 4.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.008 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.68 -156.59 3.48 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.1 m -96.22 -63.46 1.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 0.0 110.032 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 m -66.9 119.84 12.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.09 109.8 0.36 Allowed Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 43.0 mt -42.7 -63.36 0.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 0.0 109.294 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.484 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 0.2 OUTLIER -42.65 -53.61 4.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -55.83 -43.74 77.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -57.02 -51.92 67.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.231 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 49.2 t -67.04 -41.89 87.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -53.28 -54.18 40.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.66 -36.49 82.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -64.11 -58.53 6.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.472 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.0 m-30 -40.72 -53.89 2.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.64 -50.24 74.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.26 -62.82 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.277 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 37.9 mmtt -47.96 -54.61 12.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.346 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -54.97 -45.75 75.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.98 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.429 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -60.88 -38.75 86.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -60.75 -45.39 94.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.437 1.085 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.69 -22.73 47.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.4 ' O ' ' C ' ' A' ' 25' ' ' LYS . 3.8 pt -119.69 18.21 6.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.14 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 21' ' ' ALA . 2.2 mtmm 39.14 59.62 1.64 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -107.06 122.72 47.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -93.91 27.95 2.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.42 170.52 25.05 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 . 005 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 117.12 4.8 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.778 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.8 m -109.03 166.42 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 95.1 m -103.56 144.21 31.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.376 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.472 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 64.5 mt -104.31 112.08 65.34 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.368 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.418 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.3 Cg_endo -74.93 116.85 4.72 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.507 1.793 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.74 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 13.4 m-85 -76.66 -33.96 1.25 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.589 1.181 . . . . 0.0 111.084 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.74 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -75.05 -69.23 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.992 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.449 ' C ' ' O ' ' A' ' 35' ' ' PRO . 63.8 mt -36.93 -46.62 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.418 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 8.1 m-85 -66.98 -45.96 76.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 35' ' ' PRO . 2.7 tt0 -63.86 -32.01 73.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.325 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 t -75.2 -35.71 61.48 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.4 ' CG ' HD11 ' A' ' 85' ' ' LEU . 38.1 m-70 -118.54 63.69 0.77 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.573 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.6 m -74.34 -9.51 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -91.3 -13.51 32.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.436 1.085 . . . . 0.0 110.378 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -119.92 -58.34 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 11.9 mt -95.62 117.37 30.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 109.273 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.569 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 24.2 p90 -163.29 152.65 14.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.572 HG21 ' CE1' ' A' ' 55' ' ' PHE . 7.3 t -93.88 148.27 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -134.56 178.08 7.27 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.434 1.084 . . . . 0.0 110.29 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.97 1.37 67.78 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.414 1.072 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 45.8 mt -68.94 152.3 96.87 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.559 0.799 . . . . 0.0 109.283 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 -177.55 3.55 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.537 1.809 . . . . 0.0 111.008 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.89 139.87 33.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.424 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 70.32 29.09 70.49 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.541 1.151 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.466 ' CG2' HD13 ' A' ' 69' ' ' ILE . 6.8 mt -150.65 96.49 3.37 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.425 ' O ' ' OH ' ' A' ' 61' ' ' TYR . 18.5 Cg_endo -74.98 -160.41 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.459 1.768 . . . . 0.0 111.055 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.572 ' CE1' HG21 ' A' ' 46' ' ' VAL . 15.2 t80 -110.19 87.28 2.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 111.053 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 57' ' ' ARG . 11.9 mmt-85 -139.01 165.62 26.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 56' ' ' ARG . 60.2 mtt180 -37.74 125.59 0.96 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.133 . . . . 0.0 110.265 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.481 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.01 1.87 7.26 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.536 1.808 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.484 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 81.4 p -88.45 8.68 26.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.43 1.081 . . . . 0.0 109.995 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.7 p -122.01 -42.39 2.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.397 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.481 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 13.5 m-85 -42.88 146.19 0.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -71.56 164.48 53.99 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.476 1.11 . . . . 0.0 110.914 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.635 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 32.5 mt -54.98 -44.39 99.55 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.537 0.786 . . . . 0.0 109.379 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.08 -32.87 4.93 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.52 -40.45 93.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.427 1.079 . . . . 0.0 110.314 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 74.6 mt -65.64 -53.2 44.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.567 1.167 . . . . 0.0 109.326 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -40.36 -60.11 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 0.0 110.334 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.421 ' O ' ' N ' ' A' ' 71' ' ' LEU . 3.1 mtp180 -46.91 -54.57 9.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.466 HD13 ' CG2' ' A' ' 53' ' ' ILE . 84.6 mt -48.35 -36.57 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 86.1 mt -75.73 -33.05 60.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' ARG . 63.9 mt -78.17 -12.11 59.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -106.77 -4.69 19.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -42.96 -50.45 5.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -47.25 -33.43 5.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 72' ' ' ALA . 0.9 OUTLIER -92.73 -39.1 11.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.227 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 75' ' ' ARG . 16.6 mt -38.48 143.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.35 146.16 8.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.339 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -110.4 110.64 21.49 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.446 1.091 . . . . 0.0 111.022 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.569 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 27.3 t -90.23 113.08 25.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.421 1.076 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.3 mm -103.87 71.21 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.82 -59.29 4.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.519 ' CB ' ' CD1' ' A' ' 85' ' ' LEU . 1.1 mmpp? -104.09 121.65 43.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -85.59 -60.95 1.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 0.0 109.633 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 85' ' ' LEU . 11.6 pt-20 -42.44 -40.22 2.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.584 1.178 . . . . 0.0 110.332 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.519 ' CD1' ' CB ' ' A' ' 82' ' ' LYS . 17.2 mt -45.32 -40.06 7.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.253 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.3 mt -58.97 -60.31 4.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 47.51 92.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 109.336 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.1 p -127.22 150.27 49.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.053 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.7 t -161.26 60.97 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.386 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.87 130.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -134.97 91.18 2.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.333 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 178.55 115.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.451 1.095 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.4 tp -159.89 81.18 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.343 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 55.9 m 41.5 90.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -51.33 173.64 0.14 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.438 1.086 . . . . 0.0 111.098 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 102.11 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 111.05 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.4 118.45 29.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.2 t -60.62 153.33 24.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 110.063 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.1 m -121.2 141.48 50.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 109.929 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.62 135.62 33.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.69 106.46 2.95 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -155.97 152.59 28.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 0.792 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 172.86 111.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.991 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -157.23 125.36 1.56 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.443 1.089 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 63' ' ' ILE . 23.7 mt -40.03 -69.56 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 0.742 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.488 ' HD3' ' CB ' ' A' ' 59' ' ' SER . 0.5 OUTLIER -39.75 -53.66 2.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 ttpp -58.12 -44.54 87.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.224 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.441 ' CB ' HD22 ' A' ' 70' ' ' LEU . 3.3 mt-30 -58.7 -55.61 32.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.434 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 53.6 t -62.33 -45.09 99.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -49.13 -51.31 32.88 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.423 1.077 . . . . 0.0 110.274 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -68.85 -40.76 79.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 110.363 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.5 tp -60.41 -59.65 5.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.479 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 1.8 m-30 -39.59 -57.11 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -58.32 -53.31 59.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 mtm-85 -39.53 -62.03 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.268 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt -45.55 -60.87 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -53.13 -51.75 60.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -54.95 -38.53 67.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.37 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -67.66 -38.98 84.55 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.403 1.064 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.22 -14.78 57.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 pt -123.47 2.88 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 21' ' ' ALA . 1.8 mtmt 55.25 61.76 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -113.27 124.26 52.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.67 25.88 3.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.59 170.22 24.28 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 117.35 4.88 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.429 1.752 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.0 m -111.34 165.63 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.243 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.9 m -103.29 142.11 34.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.43 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.479 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 28.3 mt -97.69 121.69 57.28 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.465 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.6 Cg_endo -74.92 108.86 2.81 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 111.061 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.709 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 4.4 m-85 -81.02 -37.83 0.96 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.08 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.709 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.2 Cg_endo -75.05 -68.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.782 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 35' ' ' PRO . 33.9 mt -36.4 -47.89 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.465 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 2.1 m-85 -57.54 -50.2 73.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.424 1.077 . . . . 0.0 111.009 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 35' ' ' PRO . 6.1 mm100 -54.59 -42.33 70.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.549 ' OG ' ' CD2' ' A' ' 40' ' ' HIS . 18.8 p -67.19 -33.21 74.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.549 ' CD2' ' OG ' ' A' ' 39' ' ' SER . 34.5 m-70 -124.3 70.15 1.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.661 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.6 m -82.48 -6.92 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 109.228 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -90.23 -15.67 30.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.244 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 21.8 m-20 -121.78 -49.41 2.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.244 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.0 mt -97.87 124.39 42.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 45.7 p90 -177.47 161.29 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.56 HG22 ' CE1' ' A' ' 55' ' ' PHE . 14.7 t -104.37 151.8 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.398 1.061 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 12.6 mt-10 -137.1 -179.58 5.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.8 1.57 67.55 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.478 1.111 . . . . 0.0 111.044 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.1 mt -70.05 155.07 94.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 0.74 . . . . 0.0 109.334 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.02 -174.84 2.09 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -84.12 137.89 33.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.05 30.54 69.83 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.493 1.12 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.465 ' CG2' HD13 ' A' ' 69' ' ' ILE . 10.8 mt -150.11 96.29 3.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -162.06 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.79 . . . . 0.0 110.98 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.56 ' CE1' HG22 ' A' ' 46' ' ' VAL . 10.9 t80 -109.67 85.38 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 57' ' ' ARG . 21.4 mmt180 -135.42 165.52 25.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.8 OUTLIER -37.31 127.15 0.85 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.434 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.99 1.51 7.66 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.495 1.787 . . . . 0.0 111.024 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.488 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 26.3 p -95.54 5.21 52.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.021 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -123.71 -3.2 8.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.439 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.428 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 5.0 m-85 -84.47 157.6 21.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.64 164.01 53.85 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.561 1.163 . . . . 0.0 110.952 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.658 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 2.0 mp -59.32 -43.17 96.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.466 0.745 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.658 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -75.0 -29.27 8.4 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.543 1.812 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -64.65 -49.55 70.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.372 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.415 HD11 ' N ' ' A' ' 9' ' ' ARG . 89.8 mt -58.41 -56.82 17.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 66' ' ' LEU . 2.6 mt-10 -37.16 -57.49 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.34 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 11.5 mtp180 -52.97 -51.78 60.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.356 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.465 HD13 ' CG2' ' A' ' 53' ' ' ILE . 93.7 mt -50.7 -31.93 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.441 HD22 ' CB ' ' A' ' 11' ' ' GLN . 63.7 mt -77.93 -31.89 51.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 76.7 mt -78.99 -15.33 58.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -102.29 -3.23 27.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 2.2 ptmt -47.98 -43.35 29.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -55.63 -17.98 6.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 76' ' ' ILE . 20.8 mmt180 -110.81 -36.89 5.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.578 1.174 . . . . 0.0 110.27 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.433 HD12 ' CG2' ' A' ' 69' ' ' ILE . 22.4 mt -39.28 143.99 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -160.73 145.67 14.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.425 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 4.9 m-85 -111.24 106.98 16.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 16.9 t -85.07 129.88 37.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.441 1.088 . . . . 0.0 109.341 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.1 mm -121.96 64.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.6 mtmt -47.62 -55.59 9.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 109.351 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.494 ' CB ' ' CD1' ' A' ' 85' ' ' LEU . 1.0 OUTLIER -104.38 118.42 36.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -88.76 -43.36 11.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.579 179.991 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -53.25 -22.27 6.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.494 ' CD1' ' CB ' ' A' ' 82' ' ' LYS . 45.9 mt -69.22 -16.38 63.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 7.9 mt -108.81 46.42 0.97 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -132.23 167.09 20.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.157 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.74 144.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.989 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.8 t 38.98 41.77 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.409 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.78 -20.11 54.72 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.432 1.083 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 46.31 95.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.565 1.166 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -129.84 164.51 23.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.204 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -153.31 172.44 17.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 109.338 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.2 t -145.71 155.24 42.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.061 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -167.07 110.54 0.4 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.126 . . . . 0.0 111.065 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 162.52 36.89 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.495 1.787 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.67 -56.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.983 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.49 157.79 19.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.544 1.152 . . . . 0.0 109.984 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.127 . . . . 0.0 111.025 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -134.99 -58.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -137.19 -59.42 0.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.974 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.18 162.92 23.76 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.562 1.164 . . . . 0.0 110.943 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.43 -59.2 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 0.73 . . . . 0.0 110.031 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.63 149.11 6.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.17 . . . . 0.0 110.052 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.45 110.91 0.4 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.468 1.105 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.474 HD23 ' CD1' ' A' ' 70' ' ' LEU . 51.8 mt -40.49 -69.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.454 ' HD3' ' CB ' ' A' ' 59' ' ' SER . 1.8 ttm-85 -38.75 -54.48 1.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.27 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -56.45 -47.05 79.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 8' ' ' LEU . 4.9 mt-30 -53.59 -47.59 69.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.297 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 52.6 t -71.06 -45.35 72.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -51.55 -49.48 61.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -71.65 -39.82 70.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.268 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.6 tp -61.13 -52.7 63.76 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.474 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 1.7 m-30 -45.63 -60.56 2.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.554 1.159 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -51.85 -52.1 51.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -39.01 -64.44 0.45 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.3 mmtt -45.2 -59.8 2.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.313 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -51.27 -46.23 62.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.42 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -61.26 -38.82 88.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.387 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -62.6 -45.52 92.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.77 -19.58 29.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.417 ' O ' ' C ' ' A' ' 25' ' ' LYS . 6.1 pt -122.99 17.4 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.256 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 21' ' ' ALA . 15.6 mmtm 39.04 61.04 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.256 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.45 120.5 42.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.347 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.14 23.75 3.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -136.2 170.06 23.41 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.555 1.16 . . . . 0.0 110.946 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 117.17 4.82 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 8.7 m -110.33 164.84 6.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.9 m -103.08 145.05 30.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.39 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.474 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 41.9 mt -102.01 119.89 55.43 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.446 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.2 Cg_endo -74.9 105.8 2.15 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.519 1.799 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.729 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 9.0 m-85 -79.54 -36.11 1.04 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.729 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.1 Cg_endo -75.06 -68.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 35' ' ' PRO . 40.8 mt -36.75 -54.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.592 1.182 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.446 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 2.3 m-85 -49.48 -47.6 48.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 35' ' ' PRO . 3.2 mm-40 -57.71 -35.28 70.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' SER . . . . . 0.419 ' OG ' ' CD2' ' A' ' 40' ' ' HIS . 71.5 p -83.81 -9.46 58.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.988 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.419 ' CD2' ' OG ' ' A' ' 39' ' ' SER . 57.4 m-70 -146.25 68.91 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.524 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.0 m -86.0 -12.31 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -87.01 -8.61 57.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -124.96 -51.73 1.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.4 mt -101.9 112.27 24.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.391 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.488 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 22.0 p90 -160.22 157.64 28.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.568 HG22 ' CE1' ' A' ' 55' ' ' PHE . 28.4 t -101.22 151.02 5.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 5.6 mt-10 -136.15 179.83 6.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.93 1.98 69.68 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.0 mt -72.92 155.99 90.11 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.557 0.799 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -172.67 1.32 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.476 1.777 . . . . 0.0 111.037 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.33 139.67 30.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.18 29.91 70.04 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.547 1.154 . . . . 0.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . . . . . . . . . 11.0 mt -150.28 96.58 3.44 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.525 0.779 . . . . 0.0 109.298 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -162.38 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.551 1.816 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.568 ' CE1' HG22 ' A' ' 46' ' ' VAL . 22.3 t80 -109.99 76.4 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 57' ' ' ARG . 8.1 mmt180 -125.01 165.79 17.52 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.458 1.099 . . . . 0.0 110.267 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.4 OUTLIER -36.58 124.85 0.76 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.356 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.472 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -74.93 1.5 7.63 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.435 1.755 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.454 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 38.4 p -97.38 9.1 43.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.951 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.1 t -132.7 15.49 4.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.439 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.439 ' CB ' HD21 ' A' ' 66' ' ' LEU . 2.6 m-85 -99.62 160.81 14.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.436 1.085 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.43 163.38 52.85 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.423 1.077 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.632 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 21.3 mt -58.95 -44.59 99.09 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.341 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -75.09 -30.37 7.11 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.476 1.777 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.98 -46.11 86.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.16 . . . . 0.0 110.357 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.439 HD21 ' CB ' ' A' ' 61' ' ' TYR . 94.5 mt -63.05 -55.42 25.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -38.8 -60.09 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 6.0 mtp180 -48.38 -52.9 19.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.426 ' CG2' HD13 ' A' ' 76' ' ' ILE . 96.8 mt -49.12 -35.69 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.474 ' CD1' HD23 ' A' ' 8' ' ' LEU . 83.2 mt -76.31 -33.89 59.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 50.1 mt -76.98 -12.89 60.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.384 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -107.68 -3.59 19.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -47.53 -36.99 11.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.244 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -59.22 -27.47 65.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 76' ' ' ILE . 2.6 mtt180 -101.33 -36.93 8.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.428 ' C ' ' O ' ' A' ' 75' ' ' ARG . 28.6 mt -38.41 144.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.236 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -160.61 146.94 15.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -111.06 107.03 16.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 111.033 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.488 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 39.8 t -85.54 135.29 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.1 mm -126.25 75.17 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -51.78 68.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.09 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.465 ' CB ' ' CD1' ' A' ' 85' ' ' LEU . 0.1 OUTLIER -111.83 124.08 51.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.437 1.085 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.422 ' O ' ' N ' ' A' ' 86' ' ' LEU . 1.7 m-70 -88.37 -54.22 4.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.654 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -42.01 -45.07 3.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.1 . . . . 0.0 110.292 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.465 ' CD1' ' CB ' ' A' ' 82' ' ' LYS . 66.5 mt -44.59 -39.84 5.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 83' ' ' HIS . 85.1 mt -61.59 -57.32 12.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 50.4 93.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.523 1.139 . . . . 0.0 109.249 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.96 86.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.538 1.149 . . . . 0.0 110.021 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.8 p -78.77 -40.02 34.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.429 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.84 146.39 28.35 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.57 144.9 45.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -168.17 139.36 2.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.6 tp -170.54 114.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.0 p -177.37 161.26 1.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.042 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.19 168.13 40.14 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.563 1.164 . . . . 0.0 110.977 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 146.72 32.68 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.787 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.7 t -129.75 -60.57 1.03 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 110.053 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.9 m -158.38 -57.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 110.023 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 m 65.64 83.78 0.16 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 0.788 . . . . 0.0 110.01 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t 61.66 116.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.026 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.74 -87.51 0.19 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.66 150.34 23.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 0.746 . . . . 0.0 109.921 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.6 m 59.87 105.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.607 1.192 . . . . 0.0 109.985 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.58 147.66 17.61 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.41 ' O ' ' N ' ' A' ' 11' ' ' GLN . 42.1 mt -41.53 -68.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 9' ' ' ARG . 1.9 ttm105 -38.81 -53.85 1.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.43 -46.47 83.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.376 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.41 ' N ' ' O ' ' A' ' 8' ' ' LEU . 5.2 mt-30 -54.74 -53.2 58.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.591 1.182 . . . . 0.0 110.264 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.485 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 54.2 t -65.82 -44.89 92.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -49.19 -53.17 22.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.288 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -66.28 -39.73 89.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 110.317 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tp -61.58 -61.46 2.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.133 . . . . 0.0 109.319 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.456 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.4 m-30 -37.6 -56.9 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 111.077 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 18' ' ' ARG . 3.6 mt-10 -56.95 -53.85 53.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' GLU . 0.9 OUTLIER -38.55 -64.79 0.4 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 110.305 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.6 mmtt -43.02 -59.13 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.426 1.079 . . . . 0.0 109.231 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -54.72 -54.31 43.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -53.15 -38.3 62.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -67.3 -40.21 86.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.35 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.13 -18.8 63.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.9 pt -119.87 6.99 6.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.607 1.192 . . . . 0.0 109.285 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 21' ' ' ALA . 0.2 OUTLIER 49.59 64.34 1.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -114.43 123.18 48.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -92.9 27.15 2.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -140.69 169.64 24.79 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.135 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 117.13 4.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.462 1.77 . . . . 0.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.0 m -110.85 163.86 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.9 m -103.04 145.14 30.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.371 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.456 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 19.2 mt -101.19 119.25 58.38 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.418 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.4 Cg_endo -74.97 105.37 2.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.525 1.803 . . . . 0.0 111.049 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.749 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 13.0 m-85 -78.39 -34.59 1.06 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.376 1.048 . . . . 0.0 110.975 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.749 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -75.01 -69.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.496 1.788 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 35' ' ' PRO . 54.3 mt -36.39 -54.74 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.533 ' CZ ' ' HB3' ' A' ' 44' ' ' LEU . 3.0 m-85 -51.1 -51.04 57.33 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.418 1.074 . . . . 0.0 111.015 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 35' ' ' PRO . 2.9 mm-40 -51.58 -33.39 32.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.79 -27.56 33.66 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.531 1.144 . . . . 0.0 109.98 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.409 ' CE1' HD23 ' A' ' 85' ' ' LEU . 19.3 m-70 -126.53 58.05 1.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.537 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.9 m -73.29 -12.43 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -82.84 -25.51 32.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.305 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -108.47 -55.9 2.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.533 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 47.1 mt -93.48 112.45 24.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.244 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.549 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 17.2 p90 -161.07 151.02 17.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 110.972 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.577 HG21 ' CE1' ' A' ' 55' ' ' PHE . 30.7 t -97.86 148.41 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -133.32 -178.77 5.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.95 1.88 69.44 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 73.3 mt -69.99 153.49 95.36 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.305 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 -172.0 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.457 1.767 . . . . 0.0 110.947 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.13 137.76 32.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.393 1.058 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.407 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 69.89 29.75 70.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.136 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.465 ' CG2' HD13 ' A' ' 69' ' ' ILE . 8.0 mt -150.22 95.96 3.53 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.526 0.78 . . . . 0.0 109.301 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.407 ' O ' ' OH ' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -74.98 -161.43 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.457 1.767 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.577 ' CE1' HG21 ' A' ' 46' ' ' VAL . 8.5 t80 -109.59 83.41 1.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 57' ' ' ARG . 0.4 OUTLIER -134.96 165.7 24.73 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.496 1.122 . . . . 0.0 110.253 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.438 ' C ' ' O ' ' A' ' 56' ' ' ARG . 2.8 mtt180 -36.17 129.56 0.64 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.347 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.485 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.5 Cg_endo -74.94 2.89 6.09 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.519 1.799 . . . . 0.0 111.051 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.457 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 1.2 m -97.38 6.35 48.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.97 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 15.5 p -121.03 -6.3 9.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 110.407 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.407 ' OH ' ' O ' ' A' ' 54' ' ' PRO . 9.6 m-85 -86.05 150.39 24.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -70.78 164.09 53.34 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.431 1.082 . . . . 0.0 111.015 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.649 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 34.5 mt -56.11 -43.92 99.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.439 0.729 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.99 -32.6 5.25 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.517 1.799 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -64.27 -44.57 91.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.375 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 77.5 mt -61.88 -54.42 42.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -39.82 -61.35 0.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' LEU . 0.5 OUTLIER -45.55 -55.04 6.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.465 HD13 ' CG2' ' A' ' 53' ' ' ILE . 89.1 mt -47.89 -38.36 7.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.469 ' O ' ' CD ' ' A' ' 73' ' ' LYS . 76.9 mt -73.6 -32.8 64.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 68' ' ' ARG . 54.3 mt -76.54 -25.57 54.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.133 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -93.47 -2.87 53.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.469 ' CD ' ' O ' ' A' ' 70' ' ' LEU . 1.5 ptmt -44.18 -46.65 8.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -50.29 -32.04 15.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.235 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 72' ' ' ALA . 9.8 mmt180 -94.77 -39.7 10.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.349 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.449 HD11 ' CG2' ' A' ' 69' ' ' ILE . 19.5 mt -37.74 142.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.431 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 2.8 ttp180 -160.97 142.44 11.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.359 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.431 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 4.8 m-85 -107.94 109.8 21.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 111.04 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.549 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 39.7 t -89.39 128.44 41.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.8 mm -118.98 78.81 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.79 -49.61 75.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.417 ' CB ' HD12 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -112.57 123.35 50.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.249 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.437 ' O ' ' N ' ' A' ' 86' ' ' LEU . 18.1 m-70 -86.9 -58.7 2.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.082 . . . . 0.0 109.547 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -40.53 -46.37 2.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.292 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.417 HD12 ' CB ' ' A' ' 82' ' ' LYS . 19.5 mt -45.15 -43.97 10.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 109.357 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.437 ' N ' ' O ' ' A' ' 83' ' ' HIS . 95.5 mt -55.58 -62.12 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -59.4 174.35 0.43 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.01 110.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.989 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 90' ' ' ARG . 18.4 p -143.82 -47.15 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.461 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 89' ' ' THR . 0.0 OUTLIER 36.93 40.23 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.303 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -130.81 99.53 4.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.353 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 p30 174.75 122.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.085 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -100.63 75.54 1.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.297 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.26 90.46 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.037 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -145.54 107.06 0.41 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 78.23 2.94 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.33 106.31 1.52 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 110.01 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.87 109.36 10.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.958 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 110.925 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.82 112.11 23.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.496 0.762 . . . . 0.0 109.986 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 m 64.58 138.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.005 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.22 -109.84 3.89 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.463 1.102 . . . . 0.0 111.043 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 m -90.82 142.05 28.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 0.739 . . . . 0.0 110.032 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 m -75.38 -68.11 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.014 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.45 143.56 5.51 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.534 1.146 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.413 HD21 ' CD1' ' A' ' 70' ' ' LEU . 55.8 mt -45.54 -64.72 0.66 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 0.733 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.489 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 2.3 ttm180 -41.67 -49.77 4.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -60.75 -44.21 97.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.254 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -58.06 -52.79 64.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.446 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 49.2 t -66.67 -42.68 90.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -54.02 -54.38 39.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.81 -34.57 78.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.419 1.074 . . . . 0.0 110.26 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.4 tp -66.0 -54.34 27.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.155 . . . . 0.0 109.235 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.475 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.3 m-30 -44.85 -57.86 3.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.05 -50.21 71.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -42.06 -65.15 0.49 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 110.367 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.0 mmtt -43.55 -59.06 2.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -52.1 -47.97 64.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.567 1.167 . . . . 0.0 111.055 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -59.86 -38.06 81.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -63.77 -43.97 94.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.56 -18.13 38.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.0 pt -123.38 14.35 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.394 1.059 . . . . 0.0 109.346 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 21' ' ' ALA . 30.2 mmtt 42.05 60.93 2.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.611 1.195 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -107.21 122.23 46.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.249 -179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.3 28.35 2.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.25 170.04 25.17 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.12 116.94 4.71 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.3 m -110.96 163.93 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.369 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 86.4 m -103.74 143.14 33.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.368 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 25.8 mt -97.26 120.99 59.99 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.14 . . . . 0.0 109.249 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.424 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.2 Cg_endo -75.07 107.14 2.41 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.81 . . . . 0.0 110.993 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.734 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 20.5 m-85 -79.62 -35.76 1.0 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 111.051 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.734 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.2 Cg_endo -75.05 -69.14 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.431 1.753 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.447 ' C ' ' O ' ' A' ' 35' ' ' PRO . 45.2 mt -36.2 -54.23 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.424 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 2.6 m-85 -50.78 -50.24 56.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 35' ' ' PRO . 1.7 mm100 -55.67 -29.85 60.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.361 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.39 -27.79 31.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.951 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.503 ' CD2' HD13 ' A' ' 85' ' ' LEU . 54.5 m-70 -130.1 69.76 1.44 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.459 1.099 . . . . 0.0 109.56 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.6 m -82.01 -9.48 11.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 0.0 109.328 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -84.84 -31.92 23.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -103.13 -53.14 2.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.166 . . . . 0.0 109.324 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.0 mt -95.39 121.07 36.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.446 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 22.9 p90 -170.97 155.13 4.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 111.019 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.56 HG21 ' CE1' ' A' ' 55' ' ' PHE . 13.5 t -96.75 153.39 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.8 mt-10 -140.57 174.71 10.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.279 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.14 1.27 87.74 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.448 1.093 . . . . 0.0 111.043 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 56.2 mt -68.55 155.44 92.81 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.293 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.94 -165.19 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 111.078 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -93.15 137.37 32.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.425 ' O ' ' NH1' ' A' ' 65' ' ' ARG . . . 70.03 30.31 70.05 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.567 1.167 . . . . 0.0 111.007 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.467 ' CG2' HD11 ' A' ' 69' ' ' ILE . 6.6 mt -148.68 97.1 3.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.433 ' O ' ' OH ' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.03 -159.75 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.445 1.761 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.56 ' CE1' HG21 ' A' ' 46' ' ' VAL . 16.8 t80 -111.65 85.02 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' ARG . 24.6 mmt180 -136.53 165.66 25.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.419 1.074 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' ARG . 43.2 mtt180 -37.56 125.37 0.92 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.428 1.08 . . . . 0.0 110.251 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.477 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.99 1.23 7.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.803 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.489 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 1.4 p -87.17 2.23 50.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.028 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.6 p -115.96 -39.16 3.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.435 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.477 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 11.6 m-85 -46.47 144.13 2.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 110.965 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -68.2 164.63 47.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.649 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 13.6 mt -55.68 -43.75 99.32 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.463 0.743 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.98 -33.21 4.77 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.775 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.425 ' NH1' ' O ' ' A' ' 52' ' ' GLY . 0.2 OUTLIER -63.25 -44.75 94.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.356 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.2 mt -62.06 -54.34 42.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -39.11 -56.19 1.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 71' ' ' LEU . 0.8 OUTLIER -51.12 -54.3 26.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.467 HD11 ' CG2' ' A' ' 53' ' ' ILE . 85.6 mt -48.34 -35.42 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.364 1.04 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.413 ' CD1' HD21 ' A' ' 8' ' ' LEU . 77.6 mt -76.47 -31.51 57.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' ARG . 76.8 mt -78.06 -16.47 58.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -103.57 -4.42 23.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.61 1.194 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.9 -34.68 4.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -59.93 -33.96 72.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' ALA . 3.0 mtt180 -95.02 -35.81 11.81 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.473 1.108 . . . . 0.0 110.357 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.43 ' C ' ' O ' ' A' ' 75' ' ' ARG . 13.8 mt -37.79 141.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 6.4 ttt180 -161.04 145.25 13.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.339 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.42 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 5.4 m-85 -111.16 108.78 18.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.446 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 18.9 t -88.09 133.22 31.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.429 HG21 ' CE1' ' A' ' 83' ' ' HIS . 3.6 mm -123.71 70.6 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.13 -54.66 40.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -103.7 117.38 34.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.429 ' CE1' HG21 ' A' ' 80' ' ' ILE . 15.9 m-70 -88.82 -50.93 5.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.631 -179.933 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -42.17 -40.58 2.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.503 HD13 ' CD2' ' A' ' 40' ' ' HIS . 22.8 mt -44.03 -48.73 8.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 19.2 mt -57.61 -68.84 0.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 64.61 113.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.3 m 43.3 86.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.999 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 28.4 p -66.3 -44.31 83.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.452 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.79 143.27 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -171.06 128.12 0.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -171.23 152.0 3.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.32 59.58 2.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 109.361 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.9 p -172.62 115.05 0.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.99 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.53 122.26 5.92 Favored Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.437 1.086 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 166.36 29.35 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.416 1.745 . . . . 0.0 110.951 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.4 t -170.39 148.89 3.26 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.421 1.076 . . . . 0.0 110.018 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.88 136.62 2.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 110.031 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 -179.936 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.069 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.71 156.88 44.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 110.026 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.5 p -133.63 154.64 50.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.95 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.37 -105.23 0.23 Allowed Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.514 1.134 . . . . 0.0 110.969 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 t -60.28 -59.3 5.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 0.788 . . . . 0.0 109.976 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 m 62.38 165.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.019 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.46 171.0 35.42 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.508 1.13 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 47.9 mt -41.81 -67.72 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 109.336 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -39.03 -58.22 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 tttp -52.82 -47.71 67.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.4 mt-30 -53.47 -51.28 63.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.468 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 54.4 t -65.73 -46.26 89.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.409 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 29.2 mt-10 -49.95 -52.21 35.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.328 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -68.46 -38.59 81.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.266 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.45 ' CD2' HD13 ' A' ' 76' ' ' ILE . 1.2 tp -61.82 -55.54 28.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.472 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.4 m-30 -44.76 -60.83 1.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.409 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 2.5 mt-10 -56.22 -49.4 74.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.249 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -42.75 -62.17 1.07 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 47.7 mmtt -46.87 -60.75 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.316 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -50.07 -47.7 53.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.437 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -59.54 -39.88 85.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.088 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -62.02 -44.33 96.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.9 -19.53 43.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 4.0 pt -122.62 16.05 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 21' ' ' ALA . 21.0 mtmt 41.4 59.53 2.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 109.338 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -105.02 119.62 39.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.34 25.56 2.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.409 1.068 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.78 169.93 24.44 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.546 1.154 . . . . 0.0 111.034 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 117.35 4.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.783 . . . . 0.0 110.982 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.5 m -111.53 162.75 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.2 m -103.45 142.43 34.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.417 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.472 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 63.3 mt -98.21 118.73 63.18 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.605 1.191 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.444 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.4 Cg_endo -74.98 109.09 2.86 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.528 1.804 . . . . 0.0 111.006 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.753 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 14.5 m-85 -78.82 -34.42 0.98 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 111.065 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.753 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.0 Cg_endo -75.08 -70.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.464 1.77 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.457 ' C ' ' O ' ' A' ' 35' ' ' PRO . 89.3 mt -35.84 -54.39 0.74 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.444 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 3.6 m-85 -51.9 -48.42 64.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 35' ' ' PRO . 2.7 mm100 -57.39 -29.17 63.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.3 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.39 -25.28 29.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.948 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.501 ' CG ' HD11 ' A' ' 85' ' ' LEU . 87.6 m-70 -131.42 70.88 1.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.561 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.2 m -84.54 -9.19 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -90.72 -4.87 56.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.539 1.15 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 53.1 m-20 -126.02 -59.38 1.34 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.434 ' CD2' HG23 ' A' ' 80' ' ' ILE . 15.5 mt -98.68 120.69 39.55 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.41 ' CZ ' HG13 ' A' ' 79' ' ' VAL . 39.4 p90 -166.05 155.94 12.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.566 HG23 ' CE1' ' A' ' 55' ' ' PHE . 23.0 t -99.35 137.04 28.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.5 mt-10 -126.86 -177.69 4.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.34 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.85 1.79 68.56 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.533 1.146 . . . . 0.0 110.946 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.2 mt -70.25 154.81 94.27 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 0.0 109.333 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -174.93 2.11 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.458 1.767 . . . . 0.0 111.016 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.38 139.29 32.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.602 1.189 . . . . 0.0 110.285 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.4 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 69.94 30.1 70.37 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.436 1.085 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.405 ' CG2' HD11 ' A' ' 69' ' ' ILE . 9.7 mt -150.15 96.72 3.46 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.785 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -162.49 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.449 1.762 . . . . 0.0 111.035 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.566 ' CE1' HG23 ' A' ' 46' ' ' VAL . 9.3 t80 -110.21 84.83 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' ARG . 10.8 mmt85 -134.98 165.82 24.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.318 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.8 OUTLIER -37.5 127.23 0.89 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.485 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.98 1.35 7.83 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 9' ' ' ARG . 80.3 p -94.4 8.34 42.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.942 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -129.83 4.5 4.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.453 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.485 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 4.1 m-30 -90.01 153.06 20.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.1 163.04 54.49 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.637 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 23.8 mt -56.8 -44.22 99.68 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.482 0.754 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.02 -30.64 6.93 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.465 1.771 . . . . 0.0 111.025 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -67.99 -39.52 83.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 66.9 mt -67.72 -47.58 68.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -45.58 -63.92 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.424 ' O ' ' N ' ' A' ' 71' ' ' LEU . 4.7 mtp180 -44.76 -52.74 8.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.405 HD11 ' CG2' ' A' ' 53' ' ' ILE . 95.6 mt -49.79 -32.95 8.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.458 ' O ' ' CE ' ' A' ' 73' ' ' LYS . 68.0 mt -81.83 -29.75 32.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 68' ' ' ARG . 10.5 mt -85.06 -3.15 58.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.409 ' C ' HG13 ' A' ' 76' ' ' ILE . . . -113.97 -1.88 13.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.458 ' CE ' ' O ' ' A' ' 70' ' ' LEU . 2.6 pttp -48.6 -41.4 30.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -56.18 -17.29 6.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.353 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 76' ' ' ILE . 18.8 mmt-85 -111.43 -37.46 5.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.45 HD13 ' CD2' ' A' ' 15' ' ' LEU . 7.2 mt -39.4 140.36 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.545 1.153 . . . . 0.0 109.208 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 1.3 ttt180 -157.61 146.32 19.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.342 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.432 ' CZ ' HG23 ' A' ' 46' ' ' VAL . 7.2 m-85 -113.52 107.14 15.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.41 HG13 ' CZ ' ' A' ' 45' ' ' TYR . 40.6 t -85.07 119.3 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.346 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.561 ' CG2' ' CE1' ' A' ' 83' ' ' HIS . 6.5 mm -112.06 74.6 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 8.7 mttt -61.48 -54.25 45.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.46 ' CB ' ' CD1' ' A' ' 85' ' ' LEU . 7.3 mmtt -107.34 117.92 35.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.561 ' CE1' ' CG2' ' A' ' 80' ' ' ILE . 21.3 m-70 -86.84 -52.11 5.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 109.581 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.0 pt-20 -46.45 -44.2 17.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.501 HD11 ' CG ' ' A' ' 40' ' ' HIS . 24.2 mt -43.69 -31.02 0.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 86.3 mt -66.74 -60.41 2.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 49.72 95.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.8 t -161.25 -60.84 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.584 1.177 . . . . 0.0 109.955 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.7 t 40.24 42.08 1.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 110.467 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.63 94.32 0.77 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -176.11 90.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.0 t0 178.47 110.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.355 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 65.32 150.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.632 1.208 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.8 p -78.49 -56.07 4.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.961 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 102.03 150.36 23.11 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.496 1.122 . . . . 0.0 111.05 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 165.47 31.32 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.435 1.755 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.55 79.02 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 110.026 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.5 m -139.84 157.99 44.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -48.08 136.0 12.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.763 . . . . 0.0 109.987 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.82 111.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 1.17 . . . . 0.0 109.967 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.51 -150.75 14.92 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.58 104.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 0.758 . . . . 0.0 109.987 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.6 p -127.16 128.82 46.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.959 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.41 -179.51 16.11 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.464 1.103 . . . . 0.0 111.003 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.436 ' O ' ' N ' ' A' ' 11' ' ' GLN . 66.7 mt -43.0 -65.2 0.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 0.75 . . . . 0.0 109.249 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.475 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 1.0 OUTLIER -39.46 -55.58 1.76 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.57 1.169 . . . . 0.0 110.345 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -53.62 -43.39 68.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.436 ' N ' ' O ' ' A' ' 8' ' ' LEU . 5.8 mt-30 -57.73 -50.24 73.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 110.321 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.465 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 53.0 t -67.36 -44.31 87.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.253 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.402 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 40.9 mt-10 -51.34 -54.43 26.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.58 1.175 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -65.43 -36.01 82.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 110.271 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.44 HD22 ' CD1' ' A' ' 76' ' ' ILE . 2.1 tp -64.47 -58.48 6.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.3 m-30 -40.96 -51.76 3.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 0.0 111.028 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 3.2 mt-10 -62.78 -51.14 68.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -40.84 -62.89 0.73 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.384 1.052 . . . . 0.0 110.285 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.3 mmtt -47.24 -60.79 2.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.229 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -50.26 -51.73 42.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.463 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -56.15 -40.25 73.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -64.48 -39.33 93.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.342 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.32 -15.54 57.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.5 pt -124.14 7.06 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 21' ' ' ALA . 21.0 mmtp 52.85 58.84 4.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.238 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.444 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -109.6 120.36 42.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.279 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -92.54 23.82 3.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -136.5 170.01 23.53 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.482 1.113 . . . . 0.0 110.982 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 118.1 5.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 110.969 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.5 m -111.96 161.36 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.8 m -103.18 138.85 39.44 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 110.459 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.571 HD12 ' CZ ' ' A' ' 78' ' ' PHE . 43.2 mt -96.57 115.26 65.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.91 117.83 5.06 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.481 1.779 . . . . 0.0 110.978 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.744 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 18.5 m-85 -77.51 -33.83 1.09 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.744 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -75.05 -68.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.54 1.811 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.446 ' C ' ' O ' ' A' ' 35' ' ' PRO . 27.0 mt -37.17 -44.52 0.57 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.234 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -70.52 -45.05 66.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 35' ' ' PRO . 1.9 tt0 -62.37 -37.34 85.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.264 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -27.79 63.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.025 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -130.48 69.9 1.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.55 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.3 m -80.8 -8.2 11.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -88.34 -15.31 36.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -116.49 -58.31 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 109.316 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 12.9 mt -95.34 114.04 25.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.575 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 16.2 p90 -159.39 151.89 21.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.571 HG21 ' CE1' ' A' ' 55' ' ' PHE . 4.4 t -94.3 143.24 12.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -128.55 178.19 6.48 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 0.0 110.269 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.35 1.43 69.98 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.523 1.14 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 41.4 mt -68.33 153.25 95.83 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.27 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -176.29 2.8 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.412 1.743 . . . . 0.0 111.029 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.38 138.75 33.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 110.288 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.407 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 69.93 29.58 70.74 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.536 1.148 . . . . 0.0 110.965 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.468 ' CG2' HD13 ' A' ' 69' ' ' ILE . 7.6 mt -150.05 95.88 3.58 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -161.84 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.504 1.792 . . . . 0.0 111.004 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.571 ' CE1' HG21 ' A' ' 46' ' ' VAL . 13.1 t80 -108.27 87.59 2.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.438 ' N ' ' OH ' ' A' ' 61' ' ' TYR . 60.3 mmt-85 -139.22 165.67 26.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.252 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 56' ' ' ARG . 3.6 mtt180 -37.29 126.06 0.86 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 110.327 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.465 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.1 Cg_endo -75.08 0.65 8.69 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 0.0 110.918 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.475 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 24.7 p -94.8 3.11 55.4 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.523 1.14 . . . . 0.0 110.017 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.35 -11.26 10.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.432 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.438 ' OH ' ' N ' ' A' ' 56' ' ' ARG . 7.0 m-85 -77.31 159.74 29.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.52 163.68 50.24 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.46 1.1 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.643 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 4.3 mt -57.2 -44.22 99.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 109.328 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.95 -33.18 4.84 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.484 1.781 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.25 -37.57 87.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 84.4 mt -69.32 -49.71 53.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.425 ' CG ' HD13 ' A' ' 8' ' ' LEU . 1.1 mt-10 -43.39 -59.19 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -48.31 -52.73 20.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.468 HD13 ' CG2' ' A' ' 53' ' ' ILE . 83.0 mt -49.41 -37.23 10.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 61.8 mt -73.73 -33.28 64.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 62.4 mt -77.7 -15.53 59.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -103.0 -4.48 24.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 1.1 pttt -47.6 -41.6 22.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.304 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -56.88 -22.11 34.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.338 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 72' ' ' ALA . 3.3 mtt-85 -106.31 -36.67 6.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.446 HD12 ' CG2' ' A' ' 69' ' ' ILE . 40.0 mt -39.06 145.12 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.576 1.173 . . . . 0.0 109.308 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.428 ' N ' HG22 ' A' ' 76' ' ' ILE . 0.2 OUTLIER -163.08 145.68 10.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.571 ' CZ ' HD12 ' A' ' 32' ' ' ILE . 8.1 m-85 -110.83 108.65 18.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.405 1.066 . . . . 0.0 110.937 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.575 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 29.8 t -89.98 117.1 32.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.2 mm -105.35 68.27 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.17 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.403 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -47.44 -61.06 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.178 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.444 ' CB ' HD12 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -102.03 120.45 40.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -87.21 -59.59 2.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 109.589 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -42.73 -38.09 1.97 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 110.273 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.444 HD12 ' CB ' ' A' ' 82' ' ' LYS . 12.7 mt -45.95 -40.61 10.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 96.2 mt -64.33 -56.14 16.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -63.68 166.26 7.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 23.3 p -154.05 -59.49 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.04 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 11.6 t 43.9 38.27 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.379 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.42 98.95 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.329 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -78.45 135.7 37.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -160.16 123.84 3.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 63.51 161.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.0 t -60.48 -57.67 11.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -78.26 120.15 5.35 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.402 1.064 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 179.21 6.3 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.514 1.797 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 64.1 p -164.37 134.53 4.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 109.966 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.45 -58.67 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.435 1.084 . . . . 0.0 110.981 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.95 160.82 39.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 0.74 . . . . 0.0 110.043 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 66.36 96.61 0.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.93 177.4 40.86 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.555 1.159 . . . . 0.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.13 111.38 1.48 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 0.769 . . . . 0.0 110.004 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -147.67 126.38 12.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.986 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.71 124.01 5.27 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . . . . . . . . . 49.9 mt -41.19 -64.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 0.771 . . . . 0.0 109.296 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.482 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -42.22 -55.08 3.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -56.47 -47.08 79.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.6 mt-30 -54.78 -51.29 66.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 54.9 t -66.2 -44.64 91.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -52.51 -55.0 25.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -65.53 -32.3 73.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 110.342 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.466 HD23 ' CD1' ' A' ' 76' ' ' ILE . 4.1 tp -68.41 -57.01 6.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.461 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.9 m-30 -42.86 -55.27 3.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -57.34 -53.31 59.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.327 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.5 -64.44 0.43 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 43.6 mmtt -45.79 -58.34 3.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -52.6 -57.88 8.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.449 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -51.11 -41.82 60.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -62.66 -39.78 95.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.81 -25.02 67.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.9 pt -113.11 7.69 7.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.604 1.19 . . . . 0.0 109.206 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 21' ' ' ALA . 6.5 mtmt 52.32 59.07 4.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -107.72 124.17 49.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.409 1.068 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -95.95 25.57 4.67 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -140.14 170.11 24.46 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.538 1.148 . . . . 0.0 111.022 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 117.41 4.9 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.534 1.807 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.1 m -112.85 163.82 9.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 92.6 m -103.84 144.24 31.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.38 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.461 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 47.6 mt -99.86 115.62 65.41 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.572 1.17 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 116.79 4.7 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.582 1.832 . . . . 0.0 110.982 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.742 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 22.0 m-85 -77.23 -33.86 1.13 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.742 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -74.96 -68.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.451 1.764 . . . . 0.0 111.056 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 35' ' ' PRO . 67.5 mt -37.26 -45.06 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -69.87 -44.94 68.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.407 1.067 . . . . 0.0 111.041 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 35' ' ' PRO . 2.8 tt0 -62.63 -43.62 98.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.347 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.0 -32.69 73.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.965 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -124.88 71.33 1.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.572 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.5 m -81.96 -11.39 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.165 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -89.23 -3.51 58.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -123.48 -54.57 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 8.6 mt -106.45 117.39 33.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.559 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 18.1 p90 -158.06 152.09 24.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.578 1.174 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.56 HG23 ' CE1' ' A' ' 55' ' ' PHE . 7.6 t -94.57 138.16 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 109.229 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.403 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 7.6 mt-10 -125.85 178.97 5.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.66 1.55 72.12 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.434 1.084 . . . . 0.0 110.965 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.402 HD11 ' CG1' ' A' ' 46' ' ' VAL . 60.1 mt -68.37 155.89 91.52 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.44 0.73 . . . . 0.0 109.37 179.928 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -170.34 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.027 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -88.92 138.51 31.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.439 ' O ' ' NH1' ' A' ' 65' ' ' ARG . . . 69.45 30.39 71.25 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.479 1.112 . . . . 0.0 111.042 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.448 ' CG2' HD13 ' A' ' 69' ' ' ILE . 7.7 mt -149.05 96.7 3.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.751 . . . . 0.0 109.277 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -162.58 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.446 1.761 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.56 ' CE1' HG23 ' A' ' 46' ' ' VAL . 14.1 t80 -108.77 86.34 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.965 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.425 ' N ' ' OH ' ' A' ' 61' ' ' TYR . 12.2 mmt180 -136.55 165.49 25.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 110.252 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 56' ' ' ARG . 3.1 mtt180 -37.29 126.83 0.85 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.426 1.078 . . . . 0.0 110.285 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.466 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.96 1.24 7.93 Favored 'Trans proline' 0 C--N 1.361 1.236 0 O-C-N 124.45 1.763 . . . . 0.0 110.977 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.482 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 25.1 p -96.32 8.16 44.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -127.03 1.13 6.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.432 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 5.3 m-85 -89.04 156.56 18.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.63 163.52 54.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.112 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.644 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 3.4 mt -57.18 -44.18 99.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.03 -32.48 5.31 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.556 1.819 . . . . 0.0 110.96 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 52' ' ' GLY . 0.3 OUTLIER -64.72 -40.22 94.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 89.9 mt -67.95 -50.13 57.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -44.35 -61.4 1.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.349 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -46.05 -51.96 12.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.306 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.448 HD13 ' CG2' ' A' ' 53' ' ' ILE . 87.0 mt -50.58 -39.39 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 42.9 mt -72.05 -29.18 63.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.7 mt -81.78 -15.87 52.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -102.37 -4.57 25.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -46.38 -44.49 17.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -53.85 -23.34 12.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 0.0 110.229 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' ALA . 11.6 mmt180 -104.75 -37.85 6.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.11 . . . . 0.0 110.298 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.466 ' CD1' HD23 ' A' ' 15' ' ' LEU . 44.3 mt -38.59 144.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.443 ' N ' HG23 ' A' ' 76' ' ' ILE . 18.7 ttt180 -162.72 146.31 11.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.316 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.54 ' CZ ' ' CG2' ' A' ' 46' ' ' VAL . 7.7 m-85 -112.8 107.55 16.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.412 1.07 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.559 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 23.3 t -88.1 118.21 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.8 mm -106.74 78.77 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -61.26 2.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.403 ' CB ' ' CD1' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -98.29 116.42 30.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.4 m-70 -87.37 -51.31 6.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.592 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -48.71 -44.14 37.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.403 ' CD1' ' CB ' ' A' ' 82' ' ' LYS . 19.0 mt -45.33 -31.26 1.54 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 17.0 mt -89.18 -72.04 0.57 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 67.7 109.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.245 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 54.2 p -153.91 118.64 4.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 6.7 t -141.28 56.69 1.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.407 1.067 . . . . 0.0 110.424 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.18 152.63 26.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -160.05 82.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 110.315 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.81 154.48 23.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.47 ' CD2' ' C ' ' A' ' 93' ' ' LEU . 0.0 OUTLIER -149.05 158.02 43.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.422 ' N ' ' CD2' ' A' ' 93' ' ' LEU . 15.8 t -146.12 -50.11 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.979 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.87 160.53 34.89 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 122.15 7.01 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.526 1.803 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.22 89.63 1.0 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.942 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.5 t -56.9 160.22 3.63 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.568 1.167 . . . . 0.0 110.013 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.917 0 O-C-N 124.425 1.078 . . . . 0.0 111.015 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.3 t 63.48 145.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 0.757 . . . . 0.0 109.925 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.7 p -179.19 158.44 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.24 167.71 41.2 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 p -139.51 114.76 9.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 109.98 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.45 91.37 1.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.025 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.94 126.23 1.87 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 111.078 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.416 ' O ' ' N ' ' A' ' 11' ' ' GLN . 24.0 mt -40.23 -65.98 0.35 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 0.798 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -40.16 -52.81 2.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.19 -44.73 83.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.416 ' N ' ' O ' ' A' ' 8' ' ' LEU . 4.3 mt-30 -55.78 -50.19 71.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.324 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.464 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 50.2 t -68.82 -48.96 68.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -49.47 -48.64 47.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -71.35 -40.23 70.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 tp -60.63 -53.5 56.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.48 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.2 m-30 -44.7 -59.08 2.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -53.34 -49.75 66.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.276 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -42.94 -63.87 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 58.6 mmtt -44.03 -62.76 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.265 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -50.25 -43.39 53.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.067 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.433 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -63.0 -38.56 91.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -62.96 -46.08 89.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.05 -19.54 19.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.41 ' O ' ' C ' ' A' ' 25' ' ' LYS . 4.7 pt -122.4 17.74 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 24' ' ' ILE . 3.2 mmtt 39.12 60.88 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -107.98 126.85 53.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -95.84 10.97 35.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.357 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -124.05 169.79 16.19 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 111.058 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 117.27 4.85 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.438 1.757 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.7 m -109.05 164.99 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 0.0 109.319 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.8 m -103.35 145.98 29.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.48 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 42.9 mt -102.75 118.82 57.51 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.465 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.0 Cg_endo -75.04 108.13 2.64 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.466 1.772 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.721 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 11.2 m-85 -79.66 -36.8 1.09 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.721 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.1 Cg_endo -74.92 -69.49 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.537 1.809 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 35' ' ' PRO . 44.1 mt -35.79 -52.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.465 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 2.4 m-85 -51.67 -51.26 57.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 35' ' ' PRO . 1.8 mm-40 -49.8 -41.03 43.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 t -72.7 -29.26 63.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.954 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.492 ' CG ' HD12 ' A' ' 85' ' ' LEU . 26.3 m-70 -126.91 71.61 1.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.591 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.8 m -85.23 -13.66 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . 0.455 ' O ' ' NZ ' ' A' ' 81' ' ' LYS . 29.6 mm-40 -83.2 -23.28 32.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -112.84 -54.29 2.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 92.1 mt -94.21 112.44 24.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 51.6 p90 -167.05 157.76 11.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 110.992 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.564 HG23 ' CE1' ' A' ' 55' ' ' PHE . 37.8 t -101.63 152.6 5.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 2.0 mt-10 -138.51 -178.9 5.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 110.249 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.63 1.64 66.87 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.471 1.107 . . . . 0.0 110.937 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.1 mt -69.65 155.1 94.11 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.56 0.8 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -173.72 1.67 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.489 1.784 . . . . 0.0 111.074 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -85.72 138.66 31.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.413 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 70.01 29.23 70.85 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.413 ' CG1' ' C ' ' A' ' 52' ' ' GLY . 6.4 mt -150.18 95.22 3.62 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.433 0.726 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -162.73 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.459 1.768 . . . . 0.0 111.015 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.564 ' CE1' HG23 ' A' ' 46' ' ' VAL . 12.6 t80 -107.42 79.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' ARG . 24.1 mmt180 -130.38 165.88 21.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 110.332 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' ARG . 2.0 mtt180 -37.62 125.86 0.93 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.32 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.493 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.05 2.16 6.96 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.554 1.818 . . . . 0.0 110.954 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 98.2 p -94.73 8.59 42.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.064 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 2.2 t -127.96 2.44 5.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.415 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.493 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 7.3 m-85 -90.97 153.79 19.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.78 163.83 54.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.651 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 2.1 mp -57.36 -43.67 99.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.562 0.801 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.97 -33.08 4.9 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.464 1.771 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -63.71 -39.44 94.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 110.266 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 76.9 mt -68.22 -49.64 59.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.245 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -44.02 -62.24 1.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.419 1.075 . . . . 0.0 110.279 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.406 ' O ' ' N ' ' A' ' 72' ' ' ALA . 9.0 mtt-85 -45.19 -53.02 8.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.238 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.459 ' CG2' HD11 ' A' ' 76' ' ' ILE . 89.9 mt -49.91 -39.28 15.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 65.0 mt -71.52 -33.05 68.84 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 12.4 mt -79.31 -15.43 57.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -101.51 -5.19 25.52 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.411 1.07 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -45.67 -50.34 13.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -49.59 -22.45 1.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.246 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 72' ' ' ALA . 22.4 mmt180 -104.43 -38.81 6.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.459 HD11 ' CG2' ' A' ' 69' ' ' ILE . 41.9 mt -39.44 145.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.433 ' N ' HG22 ' A' ' 76' ' ' ILE . 2.5 ttt180 -161.35 145.04 12.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.427 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 4.4 m-85 -110.51 108.45 18.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 21.5 t -87.98 105.94 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.409 HG22 ' ND1' ' A' ' 83' ' ' HIS . 7.9 mm -98.35 61.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.176 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.455 ' NZ ' ' O ' ' A' ' 42' ' ' GLU . 1.6 mttp -44.49 -56.74 4.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.452 ' CB ' ' CD1' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -105.47 122.46 46.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.409 ' ND1' HG22 ' A' ' 80' ' ' ILE . 36.6 m-70 -88.04 -58.52 2.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.641 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -43.07 -41.39 3.52 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.47 1.106 . . . . 0.0 110.383 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.492 HD12 ' CG ' ' A' ' 40' ' ' HIS . 13.9 mt -45.02 -41.92 7.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 45.5 mt -56.21 -56.12 24.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -77.38 100.57 6.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.6 p -173.73 100.87 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 109.996 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 179.54 -36.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.445 1.091 . . . . 0.0 110.485 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.63 98.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.348 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -105.54 114.26 28.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -176.44 93.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.71 130.57 1.63 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.52 133.59 36.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.036 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 157.46 128.52 1.04 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 110.966 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 174.88 12.02 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.446 1.761 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 81.0 p -148.29 147.55 29.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.012 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 84.0 p -165.5 167.28 17.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.475 1.11 . . . . 0.0 111.018 -179.954 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.56 93.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 0.774 . . . . 0.0 110.027 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.2 p -146.35 145.11 30.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.586 1.179 . . . . 0.0 110.066 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.05 -164.34 23.32 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.73 162.3 23.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 0.792 . . . . 0.0 110.042 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.89 -54.92 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.561 1.163 . . . . 0.0 110.044 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.57 161.64 12.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.473 ' CD2' HD12 ' A' ' 70' ' ' LEU . 83.5 mt -45.33 -63.83 0.86 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.453 0.737 . . . . 0.0 109.301 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -37.96 -56.79 1.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.37 -48.93 73.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.352 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -52.66 -47.86 66.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.347 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 54.6 t -69.6 -46.11 76.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.408 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 36.8 mt-10 -50.77 -52.78 37.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 110.269 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.97 -34.39 77.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.446 HD22 ' CD1' ' A' ' 76' ' ' ILE . 1.1 tp -66.27 -56.91 8.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -43.22 -55.99 3.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.408 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 3.0 mt-10 -59.66 -49.4 77.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.8 mmt-85 -43.86 -61.0 1.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.209 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.7 mmtt -48.36 -59.13 3.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -51.97 -53.76 37.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -53.96 -39.57 66.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -65.82 -38.45 88.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.4 -12.82 46.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.2 pt -126.11 3.69 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER 56.33 58.91 3.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.443 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -108.57 120.93 43.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -93.4 28.85 2.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.355 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -143.37 170.08 25.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 117.81 5.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.0 m -112.41 162.47 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.379 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 99.9 m -103.58 143.86 32.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.399 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 51.9 mt -99.22 118.22 62.84 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 115.83 4.4 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.52 1.8 . . . . 0.0 110.959 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.747 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 24.9 m-85 -77.49 -33.77 1.09 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.747 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.4 Cg_endo -75.02 -68.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.438 ' C ' ' O ' ' A' ' 35' ' ' PRO . 77.5 mt -37.15 -45.53 0.63 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.574 1.171 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -70.33 -44.0 69.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.419 1.075 . . . . 0.0 111.039 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 35' ' ' PRO . 20.1 tp60 -57.55 -50.15 74.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.3 -22.59 61.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.003 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -126.57 72.07 1.32 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.666 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.6 m -91.64 -6.78 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -85.0 -29.03 25.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.253 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 -107.39 -50.69 3.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.423 ' CD2' HG22 ' A' ' 80' ' ' ILE . 81.5 mt -94.83 117.06 29.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.495 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 12.0 p90 -165.16 150.47 9.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 110.955 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.566 HG21 ' CE1' ' A' ' 55' ' ' PHE . 6.1 t -93.84 151.06 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -135.21 178.93 6.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.377 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.74 2.37 69.81 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.2 mt -71.33 153.99 93.82 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.453 0.737 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 -177.4 3.43 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 111.02 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -82.32 139.24 34.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.41 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 70.08 29.3 70.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.561 1.163 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.41 ' CG1' ' C ' ' A' ' 52' ' ' GLY . 7.9 mt -150.48 95.18 3.56 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 109.34 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.82 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.566 ' CE1' HG21 ' A' ' 46' ' ' VAL . 13.6 t80 -107.17 87.29 2.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.438 ' N ' ' OH ' ' A' ' 61' ' ' TYR . 26.0 mmt180 -138.31 166.01 25.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.2 OUTLIER -36.55 126.76 0.73 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.473 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.2 Cg_endo -75.05 0.69 8.62 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.789 . . . . 0.0 110.948 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 t -97.23 8.38 44.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.991 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -125.75 3.91 7.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.407 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.438 ' OH ' ' N ' ' A' ' 56' ' ' ARG . 6.9 m-85 -93.23 159.28 15.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.9 163.71 52.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.42 1.075 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.649 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.9 mp -57.6 -43.89 99.15 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.55 0.794 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.04 -33.5 4.5 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.496 1.787 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.1 mtt180 -63.73 -40.33 96.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.411 HD23 ' CB ' ' A' ' 61' ' ' TYR . 80.9 mt -66.28 -53.27 38.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.435 ' CG ' HD13 ' A' ' 8' ' ' LEU . 1.2 mt-10 -40.2 -59.87 1.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.342 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' LEU . 0.6 OUTLIER -47.85 -52.77 17.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 94.2 mt -48.86 -35.0 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.473 HD12 ' CD2' ' A' ' 8' ' ' LEU . 75.6 mt -78.43 -30.45 47.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 68' ' ' ARG . 71.6 mt -78.48 -19.27 53.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . -99.5 -0.85 39.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -49.29 -39.57 31.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -59.67 -14.73 15.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 110.263 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 76' ' ' ILE . 0.4 OUTLIER -115.12 -36.31 4.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.22 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.446 ' CD1' HD22 ' A' ' 15' ' ' LEU . 16.1 mt -39.0 142.84 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 12.3 ttt180 -162.62 144.34 10.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.248 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.489 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 5.8 m-85 -110.22 106.42 15.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.495 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 25.5 t -83.84 140.19 16.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.423 HG22 ' CD2' ' A' ' 44' ' ' LEU . 3.5 mm -128.31 74.58 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.439 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -58.12 -51.25 70.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 mttt -107.76 117.99 35.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -88.56 -53.39 4.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.571 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -40.98 -41.81 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.385 1.053 . . . . 0.0 110.331 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 37.4 mt -44.09 -42.96 6.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.417 1.073 . . . . 0.0 109.24 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 91.6 mt -62.65 -69.36 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.414 1.071 . . . . 0.0 109.3 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 71.43 -61.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 109.355 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.04 159.01 18.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.576 1.173 . . . . 0.0 109.927 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 9.9 t -160.24 61.97 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.4 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -41.2 129.79 2.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.414 1.071 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -120.57 65.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.424 1.077 . . . . 0.0 110.314 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -173.54 125.28 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -107.52 106.1 16.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 95.4 p 43.44 81.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.07 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -152.53 123.11 1.4 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -46.0 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.475 1.776 . . . . 0.0 110.953 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.78 133.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.013 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.85 -58.2 4.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.127 . . . . 0.0 110.029 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.415 1.072 . . . . 0.0 111.021 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.932 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -159.82 -57.87 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 0.725 . . . . 0.0 110.009 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.82 137.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.026 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.96 -153.06 10.38 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.408 1.068 . . . . 0.0 110.961 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.2 -60.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 0.782 . . . . 0.0 110.014 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.0 p -147.1 153.93 40.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.002 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.47 91.84 0.6 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.436 1.085 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.471 ' CD2' HD12 ' A' ' 70' ' ' LEU . 64.4 mt -40.37 -61.85 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 0.732 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.486 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -43.93 -54.22 5.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.297 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -45.55 81.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.229 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -55.37 -52.1 64.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 50.2 t -66.4 -45.05 90.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.4 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 40.5 mt-10 -49.84 -52.15 34.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.29 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.33 -40.6 81.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.296 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.1 tp -59.86 -56.54 20.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.247 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.466 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.0 m-30 -42.37 -57.12 2.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 111.047 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.4 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 2.9 mt-10 -58.58 -51.14 71.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.44 -61.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 29.8 mmtt -48.26 -54.52 13.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.469 ' OH ' ' CD1' ' A' ' 86' ' ' LEU . 39.3 t80 -55.75 -51.27 67.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -57.82 -42.66 84.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.382 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -60.81 -40.05 91.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.173 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.56 -37.72 82.18 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.448 HG23 ' CE1' ' A' ' 83' ' ' HIS . 7.2 pt -99.55 7.76 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.368 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 21' ' ' ALA . 4.0 mmtt 51.52 60.18 4.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.402 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -111.3 126.49 54.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.44 27.57 3.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -141.32 170.0 24.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.561 1.163 . . . . 0.0 111.071 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 117.24 4.85 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 111.075 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.9 m -110.11 163.66 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.167 . . . . 0.0 109.356 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 92.4 m -103.33 144.08 31.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.423 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.466 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 48.5 mt -97.1 115.62 65.78 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.442 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.3 Cg_endo -74.97 113.06 3.71 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.479 1.778 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.759 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 22.4 m-85 -77.73 -33.3 1.0 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 111.051 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.759 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.2 Cg_endo -74.94 -69.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.533 1.807 . . . . 0.0 111.031 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 35' ' ' PRO . 55.7 mt -36.77 -49.48 0.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.38 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.442 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 6.4 m-85 -61.2 -47.24 87.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.587 1.179 . . . . 0.0 110.951 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 35' ' ' PRO . 1.9 mm-40 -60.35 -32.08 70.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.236 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.67 -36.02 62.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.581 ' CD2' ' CD1' ' A' ' 85' ' ' LEU . 59.4 m-70 -124.17 66.77 1.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.6 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.4 m -76.15 -8.49 11.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -86.92 -23.13 25.26 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.586 1.179 . . . . 0.0 110.2 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.8 m-20 -113.14 -56.37 2.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.238 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 40.1 mt -90.85 112.57 24.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.253 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.446 ' CZ ' HG13 ' A' ' 79' ' ' VAL . 46.0 p90 -164.19 162.53 22.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.569 HG21 ' CE1' ' A' ' 55' ' ' PHE . 6.4 t -103.46 147.44 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -134.39 -179.68 5.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.69 1.94 68.18 Favored Glycine 0 CA--C 1.528 0.895 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.2 mt -68.98 153.56 95.97 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.439 0.729 . . . . 0.0 109.255 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.08 178.49 7.21 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.466 1.771 . . . . 0.0 110.913 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.21 138.0 38.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.4 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 70.13 30.05 70.03 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.554 1.159 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.4 ' CG1' ' C ' ' A' ' 52' ' ' GLY . 11.2 mt -150.43 96.43 3.43 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 -162.12 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.457 1.767 . . . . 0.0 110.973 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.569 ' CE1' HG21 ' A' ' 46' ' ' VAL . 8.7 t80 -109.54 86.96 2.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 57' ' ' ARG . 21.4 mmt85 -137.75 165.9 25.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.3 OUTLIER -36.0 126.18 0.67 Allowed Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.554 1.159 . . . . 0.0 110.31 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.47 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.04 1.42 7.78 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.558 1.82 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.486 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 27.4 p -96.91 6.1 49.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.042 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -123.0 -3.56 8.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.433 ' OH ' ' N ' ' A' ' 56' ' ' ARG . 5.6 m-85 -84.71 157.16 21.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.45 163.76 53.03 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.65 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 13.3 mt -57.64 -43.84 99.09 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.533 0.784 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.02 -32.13 5.61 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.459 1.768 . . . . 0.0 110.968 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -65.31 -42.92 92.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.339 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 92.4 mt -64.17 -52.03 60.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.02 -58.8 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.433 ' O ' ' N ' ' A' ' 72' ' ' ALA . 5.0 mtp180 -49.88 -51.16 42.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 87.4 mt -50.89 -32.22 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.471 HD12 ' CD2' ' A' ' 8' ' ' LEU . 84.4 mt -80.87 -29.69 35.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 68.7 mt -80.99 -20.77 41.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . -97.32 -2.71 41.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -47.17 -43.99 21.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.331 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -54.89 -21.08 10.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 110.328 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 72' ' ' ALA . 6.4 mtt-85 -107.09 -37.23 6.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.418 ' C ' ' O ' ' A' ' 75' ' ' ARG . 19.9 mt -38.9 142.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.097 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.423 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 10.3 ttt180 -162.52 145.26 11.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.551 1.157 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.423 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 7.7 m-85 -109.65 107.33 17.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.446 HG13 ' CZ ' ' A' ' 45' ' ' TYR . 35.7 t -85.21 110.03 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.41 HG21 ' ND1' ' A' ' 83' ' ' HIS . 9.2 mm -100.55 60.19 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -44.59 -57.13 3.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 7.6 mttm -101.15 106.13 17.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.448 ' CE1' HG23 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -85.01 -40.86 16.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.564 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -51.19 -28.18 10.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.342 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.581 ' CD1' ' CD2' ' A' ' 40' ' ' HIS . 15.0 mt -66.01 -28.41 68.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.247 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.469 ' CD1' ' OH ' ' A' ' 20' ' ' TYR . 6.2 mt -102.17 53.21 0.8 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -78.69 96.53 5.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.8 t -165.15 102.71 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.942 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.8 t -113.05 -45.8 3.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 110.341 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.12 84.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.102 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -96.42 140.1 31.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.173 . . . . 0.0 110.215 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -177.62 134.38 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.5 tp -147.55 115.33 6.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.412 1.07 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.5 m -113.68 149.15 35.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.586 1.179 . . . . 0.0 110.062 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -164.76 97.27 0.14 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.486 1.117 . . . . 0.0 111.002 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 109.64 2.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.9 t -161.66 81.6 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.2 t 59.0 162.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.534 1.146 . . . . 0.0 109.96 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.548 1.155 . . . . 0.0 111.017 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.1 p -58.54 -52.66 64.73 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.504 0.767 . . . . 0.0 109.921 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.75 -80.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.553 1.158 . . . . 0.0 110.07 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.81 179.77 22.71 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 t -152.98 -60.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 110.009 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.3 m -99.01 154.67 17.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.51 123.57 4.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.471 ' CD2' HD11 ' A' ' 70' ' ' LEU . 32.2 mt -44.95 -56.37 4.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.478 ' HD3' ' CB ' ' A' ' 59' ' ' SER . 3.5 ttm180 -37.35 -56.81 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.478 ' CD ' ' HG3' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -54.14 -62.0 1.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.403 ' C ' ' O ' ' A' ' 10' ' ' LYS . 4.5 mt-30 -38.52 -41.1 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.33 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.419 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 55.3 t -76.7 -44.95 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 10' ' ' LYS . 44.6 mt-10 -53.15 -48.83 67.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.276 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . 0.478 ' HG3' ' CD ' ' A' ' 10' ' ' LYS . 4.9 mm-40 -68.14 -40.54 82.42 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.554 1.159 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 2.3 tp -61.88 -51.86 66.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.476 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.6 m-30 -46.28 -54.48 8.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 3.0 mt-10 -59.44 -49.11 79.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.584 1.178 . . . . 0.0 110.308 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -42.3 -63.91 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 40.4 mmtt -43.85 -61.81 1.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -51.96 -53.59 39.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -52.98 -38.71 62.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -67.87 -38.8 83.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.93 -16.46 61.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 109.253 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.8 pt -121.71 2.48 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 21' ' ' ALA . 4.0 mmmt 55.67 63.11 2.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.259 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -114.33 124.37 51.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -94.75 27.07 3.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -141.03 170.11 24.69 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 117.01 4.76 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.432 1.753 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.3 m -111.18 165.76 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.5 m -103.57 141.7 35.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.476 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 24.0 mt -97.76 123.71 50.79 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.405 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.4 Cg_endo -75.01 105.74 2.14 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.524 1.802 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.708 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 11.3 m-85 -80.5 -37.26 1.0 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 111.038 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.708 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.6 Cg_endo -74.96 -68.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.435 1.755 . . . . 0.0 111.032 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 35' ' ' PRO . 35.4 mt -36.49 -53.81 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.409 ' CD2' ' HE2' ' A' ' 55' ' ' PHE . 2.0 m-85 -50.57 -49.82 55.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -53.87 -36.9 63.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.381 179.895 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.36 -26.88 52.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.044 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -128.16 66.54 1.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.587 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.4 m -81.05 -9.52 11.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -85.96 -20.34 29.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -116.06 -50.58 2.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.071 . . . . 0.0 109.278 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.402 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 75.2 mt -96.49 119.4 34.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.46 ' CE2' ' HG3' ' A' ' 81' ' ' LYS . 14.2 p90 -169.75 151.91 4.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.565 HG21 ' CE1' ' A' ' 55' ' ' PHE . 27.1 t -96.42 151.24 4.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.406 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 13.4 mt-10 -136.71 175.5 9.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.49 1.81 83.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 53.0 mt -70.41 152.58 95.46 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.545 0.791 . . . . 0.0 109.289 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.14 171.52 18.15 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.454 1.765 . . . . 0.0 110.967 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -71.77 141.42 49.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.409 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 68.05 29.24 73.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.45 ' CG2' HD11 ' A' ' 69' ' ' ILE . 9.4 mt -150.69 97.35 3.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.412 0.713 . . . . 0.0 109.319 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.25 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.572 1.828 . . . . 0.0 110.982 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.565 ' CE1' HG21 ' A' ' 46' ' ' VAL . 9.3 t80 -109.59 78.63 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' ARG . 17.7 mmt85 -129.63 165.33 22.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.207 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 56' ' ' ARG . 4.0 mtt180 -37.57 126.64 0.91 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 110.262 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.489 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.02 2.34 6.74 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.517 1.798 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.478 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 1.8 p -92.8 2.3 56.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.992 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.7 p -119.97 -9.04 9.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.429 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.489 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 6.9 m-30 -78.69 153.57 30.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.39 164.07 54.85 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.558 1.162 . . . . 0.0 111.025 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.65 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.4 mp -56.98 -43.73 99.52 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.464 0.744 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.99 -33.2 4.78 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.49 1.784 . . . . 0.0 110.97 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -63.8 -40.72 97.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.307 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 75.5 mt -66.37 -51.4 57.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.624 1.202 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -42.29 -59.15 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.376 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 72' ' ' ALA . 4.8 mtp180 -48.42 -52.9 19.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 110.287 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.45 HD11 ' CG2' ' A' ' 53' ' ' ILE . 89.4 mt -49.52 -39.62 14.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.471 HD11 ' CD2' ' A' ' 8' ' ' LEU . 83.6 mt -72.88 -27.47 61.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 68' ' ' ARG . 61.0 mt -81.89 -25.07 35.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -94.14 -3.42 51.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.4 1.063 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.426 ' CD ' ' O ' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -46.45 -39.07 10.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -57.93 -28.17 64.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.378 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 72' ' ' ALA . 4.6 mtt180 -99.99 -37.19 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.423 HD11 ' CG2' ' A' ' 69' ' ' ILE . 29.3 mt -38.82 143.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 12.4 ttt180 -161.09 145.23 13.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.424 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 4.9 m-85 -109.83 107.81 17.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.443 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 19.7 t -88.11 133.03 31.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.0 mm -125.23 72.9 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.46 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -55.73 -49.46 73.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.399 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.472 ' CB ' ' CD1' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -108.96 122.23 46.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -87.61 -61.09 1.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.396 1.06 . . . . 0.0 109.61 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -42.72 -41.44 3.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 110.327 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.472 ' CD1' ' CB ' ' A' ' 82' ' ' LYS . 16.7 mt -45.39 -39.74 7.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 109.253 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . . . . . . . . . 83.6 mt -53.11 -62.33 1.72 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 48.4 m-20 -57.32 -60.91 2.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t -45.1 144.98 1.12 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.15 . . . . 0.0 109.971 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -179.96 -36.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 110.451 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.86 112.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -148.55 90.21 1.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.326 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.97 136.24 29.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.373 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.78 108.68 8.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.249 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.8 p -150.18 151.22 32.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.422 1.076 . . . . 0.0 110.056 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 97.23 176.41 34.59 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -50.97 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.498 1.788 . . . . 0.0 111.028 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 58.8 m 61.47 122.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 110.034 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.0 p -82.32 -58.39 2.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.962 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.56 1.163 . . . . 0.0 110.967 -180.0 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.5 p -170.71 146.02 2.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 0.798 . . . . 0.0 109.984 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.85 -59.97 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.948 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.31 150.41 22.13 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 p -161.94 161.17 28.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 0.736 . . . . 0.0 109.976 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.84 163.33 9.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.981 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.96 123.05 2.25 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.466 HD22 ' CD1' ' A' ' 70' ' ' LEU . 81.8 mt -40.61 -63.69 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 0.787 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.465 ' HD3' ' CB ' ' A' ' 59' ' ' SER . 1.1 ttm180 -41.22 -46.68 3.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.595 1.185 . . . . 0.0 110.398 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -63.96 -47.64 79.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.435 ' CB ' HD12 ' A' ' 70' ' ' LEU . 4.6 mt-30 -52.25 -43.38 64.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.49 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 48.8 t -75.38 -45.83 39.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.406 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 33.6 mt-10 -51.44 -45.88 62.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.26 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -70.71 -34.73 72.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.381 1.051 . . . . 0.0 110.276 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.447 HD23 ' CD1' ' A' ' 76' ' ' ILE . 1.1 tp -68.94 -60.08 2.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.477 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.7 m-30 -39.04 -52.57 1.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.406 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 5.5 mt-10 -63.35 -49.16 74.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.583 1.177 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.3 mtt180 -44.18 -62.63 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.6 mmtt -46.47 -58.53 3.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.261 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . 0.418 ' OH ' ' CD2' ' A' ' 86' ' ' LEU . 34.0 t80 -52.8 -51.84 59.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -57.38 -42.92 83.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -60.14 -42.62 95.26 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.428 1.08 . . . . 0.0 110.348 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.21 -35.81 74.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.237 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.52 HG22 ' CE1' ' A' ' 83' ' ' HIS . 7.5 pt -103.49 13.4 7.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' ALA . 1.4 mmpt? 44.59 62.74 1.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.403 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -114.76 122.4 46.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.88 28.55 2.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.91 170.5 24.25 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 116.67 4.66 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.446 1.761 . . . . 0.0 110.99 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 5.3 m -110.81 163.37 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.2 m -103.37 141.81 35.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.477 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 64.9 mt -99.22 117.2 64.44 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.435 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.1 Cg_endo -75.02 111.26 3.28 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.563 1.823 . . . . 0.0 111.041 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.731 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 12.3 m-85 -79.6 -36.39 1.06 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.731 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -75.04 -70.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.404 1.739 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 35' ' ' PRO . 33.6 mt -35.47 -51.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.252 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.58 ' CE1' ' HB3' ' A' ' 44' ' ' LEU . 2.7 m-85 -52.92 -51.3 61.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -49.49 -40.31 36.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.58 -30.08 65.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.97 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.508 ' CG ' HD13 ' A' ' 85' ' ' LEU . 24.4 m-70 -128.13 71.8 1.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.61 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.3 m -81.3 -9.67 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -93.35 -11.96 31.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 1.076 . . . . 0.0 110.326 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 14.3 m-20 -118.93 -50.16 2.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.58 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 49.6 mt -108.37 112.34 24.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.153 . . . . 0.0 109.349 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -167.74 157.21 10.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.592 ' CG2' ' CE1' ' A' ' 55' ' ' PHE . 27.7 t -98.64 145.0 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.4 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 3.9 mt-10 -132.25 179.66 5.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.174 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.05 1.8 69.73 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.5 1.125 . . . . 0.0 111.083 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 50.5 mt -67.16 153.13 95.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.444 0.732 . . . . 0.0 109.332 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -179.99 5.53 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.574 1.829 . . . . 0.0 111.009 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.26 139.78 37.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.209 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.422 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 69.32 28.87 72.16 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.538 1.149 . . . . 0.0 111.045 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.469 ' CG2' HD13 ' A' ' 69' ' ' ILE . 7.4 mt -150.72 97.3 3.28 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.446 0.733 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.405 ' O ' ' OH ' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.98 -161.39 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.592 ' CE1' ' CG2' ' A' ' 46' ' ' VAL . 9.4 t80 -109.34 79.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 57' ' ' ARG . 4.6 mmt-85 -129.9 165.2 22.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 110.354 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 56' ' ' ARG . 10.1 mtm180 -36.71 131.04 0.69 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.262 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.49 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.02 1.42 7.77 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.465 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -97.57 6.86 47.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.963 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.2 p -120.84 -6.3 9.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.405 ' OH ' ' O ' ' A' ' 54' ' ' PRO . 9.6 m-85 -86.5 153.74 21.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.064 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.7 164.53 54.61 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.647 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 4.9 mt -56.68 -43.87 99.53 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.53 0.782 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.6 Cg_endo -74.99 -33.44 4.59 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -64.58 -40.39 95.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 110.224 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 75.1 mt -66.23 -53.1 41.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.34 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -39.78 -57.41 1.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.437 1.085 . . . . 0.0 110.284 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.407 ' O ' ' N ' ' A' ' 71' ' ' LEU . 7.5 mtt-85 -50.97 -51.35 53.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.469 HD13 ' CG2' ' A' ' 53' ' ' ILE . 92.3 mt -50.73 -31.3 9.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.466 ' CD1' HD22 ' A' ' 8' ' ' LEU . 38.5 mt -81.98 -29.27 32.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 68' ' ' ARG . 75.1 mt -80.4 -15.88 55.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -103.19 -3.49 25.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -45.7 -40.18 8.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.236 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -55.96 -30.65 62.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.25 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 72' ' ' ALA . 1.0 OUTLIER -97.32 -36.63 10.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.263 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.447 ' CD1' HD23 ' A' ' 15' ' ' LEU . 17.3 mt -38.81 144.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 3.8 ttt85 -162.38 145.66 11.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.396 1.06 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.565 ' CZ ' HG22 ' A' ' 46' ' ' VAL . 3.8 m-85 -112.82 111.5 22.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.94 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . . . . . . . . . 18.3 t -92.54 109.75 21.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.411 ' O ' ' C ' ' A' ' 81' ' ' LYS . 7.0 mm -104.18 54.63 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.586 1.179 . . . . 0.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.411 ' C ' ' O ' ' A' ' 80' ' ' ILE . 5.7 mttp -39.63 -59.22 1.16 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.433 ' HB3' ' CD1' ' A' ' 85' ' ' LEU . 0.0 OUTLIER -94.45 112.98 24.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.52 ' CE1' HG22 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -87.74 -49.59 7.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 109.636 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -50.29 -37.33 35.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.508 HD13 ' CG ' ' A' ' 40' ' ' HIS . 14.5 mt -44.76 -43.42 8.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.418 ' CD2' ' OH ' ' A' ' 20' ' ' TYR . 14.8 mt -64.44 -61.21 2.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 63.97 91.82 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.27 87.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.976 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.8 t -147.11 58.87 1.17 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.466 1.104 . . . . 0.0 110.499 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.14 125.66 12.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.281 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 179.03 169.96 0.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.28 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -130.87 93.44 3.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.4 tp -172.09 102.96 0.17 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.393 1.058 . . . . 0.0 109.236 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.57 136.27 48.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.025 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 115.24 98.45 2.19 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 164.95 32.3 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.421 1.748 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.2 m -138.15 123.23 19.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.975 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.3 81.63 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.042 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.493 1.121 . . . . 0.0 111.05 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.19 158.07 18.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 0.787 . . . . 0.0 110.01 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -169.01 152.06 5.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.51 166.43 27.47 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.0 p -128.11 169.52 14.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.783 . . . . 0.0 110.048 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.48 -51.58 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 110.002 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.8 162.12 21.7 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.437 HD22 ' CD1' ' A' ' 70' ' ' LEU . 62.7 mt -41.03 -64.54 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.534 0.785 . . . . 0.0 109.268 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.494 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 1.9 ttm180 -39.15 -55.71 1.59 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.125 . . . . 0.0 110.339 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -54.59 -44.45 73.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.423 ' N ' ' O ' ' A' ' 8' ' ' LEU . 4.3 mt-30 -56.75 -48.86 76.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 55.5 t -69.06 -48.95 66.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -46.81 -47.96 20.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.438 1.086 . . . . 0.0 110.363 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -70.9 -40.45 72.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 1.8 tp -61.1 -59.6 5.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -38.61 -54.48 1.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -61.01 -50.38 73.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.18 -62.26 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.353 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 38.4 mmtt -49.23 -56.89 7.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -52.26 -54.3 33.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 111.038 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.46 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -54.69 -41.74 70.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -62.29 -39.32 92.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.39 -19.03 63.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.7 pt -121.04 8.54 6.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 21' ' ' ALA . 5.3 mmtt 52.04 59.31 4.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -108.69 119.8 40.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.69 29.51 2.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.169 . . . . 0.0 109.244 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.48 170.41 25.11 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 116.74 4.67 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.531 1.806 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.3 m -112.58 165.65 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.349 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.54 162.29 13.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.358 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.8 mt -121.45 115.11 31.34 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.355 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 116.72 4.67 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.798 . . . . 0.0 111.036 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.751 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 17.7 m-85 -76.62 -33.03 1.11 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.751 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.6 Cg_endo -74.97 -67.16 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.417 ' C ' ' O ' ' A' ' 35' ' ' PRO . 81.8 mt -39.02 -45.96 1.29 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -70.82 -40.16 72.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 35' ' ' PRO . 0.6 OUTLIER -65.96 -39.27 90.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.155 . . . . 0.0 110.313 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.96 -27.99 60.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.039 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -125.18 70.54 1.17 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.56 1.162 . . . . 0.0 109.584 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.9 m -83.94 -6.18 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -89.74 -22.13 22.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.407 1.067 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -111.78 -52.53 2.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.604 1.19 . . . . 0.0 109.272 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.433 ' CD2' HG21 ' A' ' 80' ' ' ILE . 62.6 mt -98.67 114.55 27.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.576 1.173 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.504 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 11.6 p90 -161.9 149.84 14.8 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.563 1.165 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.557 HG23 ' CE1' ' A' ' 55' ' ' PHE . 5.2 t -94.25 147.96 5.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -132.38 179.57 6.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 110.31 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.87 1.69 68.33 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 62.9 mt -69.32 152.94 96.33 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.604 0.826 . . . . 0.0 109.363 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 175.22 11.52 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.549 1.815 . . . . 0.0 111.028 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.63 140.07 42.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.418 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 69.54 29.2 71.61 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.418 ' CG1' ' C ' ' A' ' 52' ' ' GLY . 8.0 mt -150.91 96.25 3.34 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . 0.428 ' O ' ' OH ' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -74.94 -160.11 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.494 1.786 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.557 ' CE1' HG23 ' A' ' 46' ' ' VAL . 16.5 t80 -110.98 88.57 2.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 57' ' ' ARG . 24.8 mmt-85 -139.11 165.83 26.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.219 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' ARG . 2.8 mtt180 -37.04 125.69 0.81 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.34 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.473 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -75.0 1.37 7.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.538 1.81 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.494 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 9.3 p -93.39 8.01 42.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.001 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.3 p -119.86 -34.78 3.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.074 . . . . 0.0 110.4 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.428 ' OH ' ' O ' ' A' ' 54' ' ' PRO . 11.4 m-85 -53.56 158.39 1.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -79.58 164.7 49.22 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.461 1.101 . . . . 0.0 110.976 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.656 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 2.3 mp -56.97 -43.44 99.4 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.437 0.728 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.656 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.0 -35.62 3.03 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.512 1.796 . . . . 0.0 111.047 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -64.15 -39.72 94.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 71.2 mt -65.22 -54.28 31.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -38.79 -57.81 1.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 110.256 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 72' ' ' ALA . 4.1 mtp180 -49.53 -52.22 31.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.233 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.425 ' O ' ' CD1' ' A' ' 76' ' ' ILE . 86.6 mt -51.09 -30.86 10.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.483 ' O ' ' CD ' ' A' ' 73' ' ' LYS . 82.5 mt -82.22 -31.4 30.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.9 mt -78.01 -23.89 48.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -95.4 -3.7 46.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.483 ' CD ' ' O ' ' A' ' 70' ' ' LEU . 2.0 ptmt -43.27 -42.86 4.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.397 1.061 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -52.56 -36.97 56.89 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.482 ' N ' ' O ' ' A' ' 72' ' ' ALA . 2.3 mtm-85 -90.32 -38.8 13.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.444 ' C ' ' O ' ' A' ' 75' ' ' ARG . 12.8 mt -37.18 141.84 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.426 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 1.9 ttp180 -161.76 144.23 11.76 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.426 ' N ' ' HG3' ' A' ' 77' ' ' ARG . 6.4 m-85 -109.48 110.32 21.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.504 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 31.7 t -88.91 136.8 22.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.466 ' CG2' HD12 ' A' ' 86' ' ' LEU . 3.6 mm -125.04 77.12 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . 0.428 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -60.03 -43.18 95.5 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.434 ' CB ' ' CD1' ' A' ' 85' ' ' LEU . 0.3 OUTLIER -114.12 114.7 26.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -84.26 -53.62 5.36 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.439 1.087 . . . . 0.0 109.615 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -44.55 -43.19 7.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.434 ' CD1' ' CB ' ' A' ' 82' ' ' LYS . 16.3 mt -46.24 -36.59 6.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.08 . . . . 0.0 109.2 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.466 HD12 ' CG2' ' A' ' 80' ' ' ILE . 23.9 mt -93.92 53.59 1.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -100.37 100.64 11.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.45 48.79 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.579 1.174 . . . . 0.0 110.052 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 16.9 p -95.17 71.37 3.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.404 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.63 136.59 14.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 53.54 94.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 110.256 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -160.78 92.42 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -173.86 153.54 2.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 89.6 p -174.8 132.62 0.34 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 110.053 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -167.55 95.87 0.12 Allowed Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 108.92 2.83 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.462 1.77 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.6 t -179.91 -58.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.954 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.2 p -167.32 142.87 4.08 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.421 1.076 . . . . 0.0 110.006 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.537 1.148 . . . . 0.0 110.955 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.71 112.69 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 0.732 . . . . 0.0 110.02 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.03 -58.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.97 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.86 -71.57 0.3 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.58 1.175 . . . . 0.0 111.047 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.38 156.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 110.017 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m 59.74 101.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.041 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.4 101.44 0.26 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.397 1.061 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.527 ' CD2' ' CD1' ' A' ' 70' ' ' LEU . 47.3 mt -40.91 -59.87 1.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 0.799 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.486 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 3.2 ttm180 -43.71 -50.19 7.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -60.94 -47.58 85.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.242 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -52.84 -41.09 63.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.465 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 48.7 t -74.71 -47.07 39.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . 0.402 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 59.2 mt-10 -53.0 -49.76 65.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.336 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -67.87 -37.39 81.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.418 HD23 ' CD1' ' A' ' 76' ' ' ILE . 0.8 OUTLIER -62.89 -53.49 53.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.435 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 3.4 m-30 -44.44 -58.4 2.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 2.0 mp0 -57.17 -47.51 81.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.41 -62.94 1.14 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.53 1.144 . . . . 0.0 110.238 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 41.0 mmtt -45.28 -55.82 5.5 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.444 1.09 . . . . 0.0 109.406 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -54.65 -54.54 40.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -52.04 -40.77 61.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -63.65 -38.43 91.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.3 -29.87 70.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.6 pt -107.99 6.02 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 21' ' ' ALA . 29.2 mmtt 53.18 60.85 3.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . 0.419 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -112.65 124.47 52.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.593 1.183 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -94.53 28.48 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.388 1.055 . . . . 0.0 109.309 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.1 170.31 25.01 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 117.71 5.0 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 110.966 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.0 m -112.68 164.32 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.6 m -103.51 140.94 36.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 110.393 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.435 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 43.5 mt -93.95 123.06 60.53 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.459 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.5 Cg_endo -74.99 104.23 1.87 Allowed 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.515 1.797 . . . . 0.0 111.089 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.744 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 3.9 m-30 -75.63 -34.84 1.63 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.55 1.156 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.744 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -74.97 -65.58 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.463 1.77 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.9 mt -40.09 -47.81 2.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.459 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 3.6 m-85 -58.13 -49.43 77.01 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.57 -43.45 72.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.07 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.32 -33.48 65.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.996 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -123.89 67.97 1.04 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.597 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.429 ' CG1' ' O ' ' A' ' 37' ' ' PHE . 10.1 m -81.38 -8.61 11.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -94.14 -10.23 33.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.259 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -113.01 -44.06 3.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.417 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 8.2 mt -116.39 122.24 44.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.559 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 31.1 p90 -162.3 153.96 18.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 111.03 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.564 HG23 ' CE1' ' A' ' 55' ' ' PHE . 21.3 t -97.21 133.56 38.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 3.5 mt-10 -120.55 -179.55 4.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.338 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.46 2.02 67.06 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.553 1.158 . . . . 0.0 111.048 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 35.2 mt -68.66 152.55 96.63 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.75 . . . . 0.0 109.277 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.08 -177.44 3.48 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.401 1.737 . . . . 0.0 110.986 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -82.52 138.13 34.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.242 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.409 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 70.2 29.87 70.04 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.413 1.071 . . . . 0.0 110.925 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.476 ' CG2' HD12 ' A' ' 69' ' ' ILE . 8.2 mt -150.29 95.33 3.58 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 -161.96 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.472 1.775 . . . . 0.0 110.997 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.564 ' CE1' HG23 ' A' ' 46' ' ' VAL . 18.4 t80 -109.49 88.34 2.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.47 ' O ' ' C ' ' A' ' 57' ' ' ARG . 17.0 mmt85 -140.21 166.36 24.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.47 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.6 OUTLIER -33.61 120.14 0.48 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.351 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.476 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.96 1.28 7.89 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.454 1.766 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.486 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 1.2 p -96.97 4.5 51.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.006 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.32 -6.02 9.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.431 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.476 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 4.9 m-85 -78.65 160.92 27.28 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.461 1.1 . . . . 0.0 111.072 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.0 163.23 52.21 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.648 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 41.2 mt -58.09 -43.87 98.79 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.749 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.01 -33.2 4.75 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.469 1.773 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 2.4 mtt180 -62.83 -42.28 99.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.403 HD23 ' CB ' ' A' ' 61' ' ' TYR . 94.1 mt -65.41 -55.07 20.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.413 ' CG ' HD13 ' A' ' 8' ' ' LEU . 3.3 mt-10 -38.02 -55.65 1.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 71' ' ' LEU . 6.3 mtp180 -53.14 -54.14 40.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 110.302 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.476 HD12 ' CG2' ' A' ' 53' ' ' ILE . 93.1 mt -47.35 -34.08 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.527 ' CD1' ' CD2' ' A' ' 8' ' ' LEU . 71.3 mt -77.68 -35.48 52.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.418 1.073 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 68' ' ' ARG . 82.2 mt -74.21 -21.22 59.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -97.55 -5.06 36.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.228 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.42 ' CG ' ' O ' ' A' ' 70' ' ' LEU . 1.3 ptmt -43.53 -48.9 7.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -48.81 -33.1 9.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 72' ' ' ALA . 1.8 mtm180 -93.15 -38.22 11.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.577 1.173 . . . . 0.0 110.315 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.419 ' C ' ' O ' ' A' ' 75' ' ' ARG . 14.7 mt -38.62 141.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.442 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 8.4 ttt180 -163.5 144.0 8.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.506 ' CZ ' ' CG2' ' A' ' 46' ' ' VAL . 7.2 m-85 -108.2 111.7 23.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 111.035 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.559 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 24.4 t -91.56 108.69 20.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.415 HG21 ' CD2' ' A' ' 44' ' ' LEU . 7.0 mm -101.34 82.49 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -60.89 3.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.431 ' CB ' HD13 ' A' ' 85' ' ' LEU . 4.2 mmtt -101.7 118.57 37.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.11 -53.93 5.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.543 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -47.63 -39.0 15.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 0.0 110.361 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.431 HD13 ' CB ' ' A' ' 82' ' ' LYS . 14.0 mt -48.71 -40.54 28.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.401 HD23 ' CD1' ' A' ' 44' ' ' LEU . 22.8 mt -55.29 -38.09 68.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -74.91 130.26 39.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.368 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 89' ' ' THR . 0.2 OUTLIER -171.27 104.79 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.946 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' THR . . . . . 0.426 ' C ' ' N ' ' A' ' 91' ' ' GLU . 6.2 t 38.16 53.15 1.66 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.431 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -40.45 -28.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 89' ' ' THR . 0.4 OUTLIER -104.96 104.06 13.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 110.337 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -146.71 144.86 29.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.583 1.177 . . . . 0.0 109.269 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -159.53 83.63 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.261 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.5 t -149.21 129.5 13.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.575 1.172 . . . . 0.0 109.975 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -44.86 108.46 0.2 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.581 1.175 . . . . 0.0 111.06 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 111.9 3.43 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.473 1.775 . . . . 0.0 111.015 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.37 83.16 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.957 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.6 p -108.93 155.49 20.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.019 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.56 1.162 . . . . 0.0 111.014 179.95 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 t -119.21 102.9 9.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 109.977 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.0 p -96.25 123.28 39.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.02 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.02 -116.45 1.16 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.525 1.14 . . . . 0.0 110.993 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m 63.29 111.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 0.803 . . . . 0.0 110.058 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m 63.32 148.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.77 97.13 0.26 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' LEU . . . . . 0.468 HD22 ' CD1' ' A' ' 70' ' ' LEU . 19.5 mt -45.45 -60.84 1.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.741 . . . . 0.0 109.215 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.48 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 1.1 ttm180 -41.2 -44.94 2.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.302 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.9 tptp -64.72 -44.23 90.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.382 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 8' ' ' LEU . 4.7 mt-30 -56.61 -44.82 81.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 110.275 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.448 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 46.6 t -74.75 -42.34 47.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 59.6 mt-10 -55.98 -49.01 74.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.256 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -69.61 -40.53 76.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.181 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.1 tp -60.06 -50.2 74.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.484 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.5 m-30 -48.24 -63.1 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . 0.401 ' N ' HD12 ' A' ' 32' ' ' ILE . 2.4 mt-10 -49.74 -49.0 49.75 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.556 1.16 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.08 -66.68 0.35 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 35.7 mmtt -41.88 -60.56 1.35 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -49.96 -49.43 50.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -59.36 -40.44 86.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -60.51 -44.27 96.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.97 -31.04 66.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ILE . . . . . 0.417 ' CG2' ' NE2' ' A' ' 83' ' ' HIS . 3.9 pt -110.03 16.11 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.31 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' ALA . 6.2 mtmt 40.7 60.67 1.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ALA . . . . . . . . . . . . . . . -106.6 121.72 44.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -93.83 29.65 2.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -143.25 170.05 25.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.581 1.176 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 116.82 4.71 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 0.0 111.024 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.5 m -112.14 164.41 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 98.2 m -103.34 144.55 31.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.397 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.484 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 21.4 mt -98.31 120.43 59.55 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.454 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.3 Cg_endo -74.97 107.3 2.45 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.522 1.801 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' TYR . . . . . 0.715 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 11.8 m-85 -80.02 -37.08 1.06 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PRO . . . . . 0.715 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.5 Cg_endo -75.01 -69.45 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.528 1.804 . . . . 0.0 111.011 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 35' ' ' PRO . 34.3 mt -35.59 -51.9 0.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.244 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.462 ' CZ ' ' HB3' ' A' ' 44' ' ' LEU . 2.1 m-85 -52.04 -51.31 58.31 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 35' ' ' PRO . 6.1 mm-40 -54.01 -37.45 64.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.26 -32.66 63.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.02 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' HIS . . . . . 0.493 ' CG ' HD13 ' A' ' 85' ' ' LEU . 32.5 m-70 -127.13 67.69 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.611 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.9 m -79.81 -11.28 12.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -85.3 -13.8 48.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.33 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -116.45 -59.64 1.95 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.229 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LEU . . . . . 0.462 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 10.9 mt -93.85 123.59 37.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' TYR . . . . . 0.541 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 43.0 p90 -169.76 157.04 6.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' VAL . . . . . 0.617 ' CG2' ' CE1' ' A' ' 55' ' ' PHE . 55.5 t -102.22 138.53 26.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -127.49 -178.04 4.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.347 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.92 1.6 68.3 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 65.5 mt -68.14 156.36 90.05 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 109.296 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.04 -169.29 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 110.97 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -89.19 137.38 32.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.264 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' GLY . . . . . 0.4 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 69.55 31.84 71.03 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.425 1.078 . . . . 0.0 110.913 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ILE . . . . . 0.4 ' CG1' ' C ' ' A' ' 52' ' ' GLY . 11.1 mt -150.42 97.09 3.36 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.455 0.738 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -163.36 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.475 1.776 . . . . 0.0 110.974 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PHE . . . . . 0.617 ' CE1' ' CG2' ' A' ' 46' ' ' VAL . 13.5 t80 -109.24 80.41 1.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.098 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 57' ' ' ARG . 29.2 mmt-85 -130.22 165.43 22.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.496 ' O ' ' CG2' ' A' ' 60' ' ' THR . 5.7 mtt180 -38.72 124.84 1.18 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PRO . . . . . 0.514 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.02 3.67 5.43 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.53 1.805 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' SER . . . . . 0.48 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 5.1 p -94.38 8.51 41.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' THR . . . . . 0.496 ' CG2' ' O ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -132.9 7.31 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.415 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' TYR . . . . . 0.514 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 3.1 m-30 -91.18 156.84 17.56 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.17 163.16 54.89 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.491 1.12 . . . . 0.0 111.049 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ILE . . . . . 0.64 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 5.1 mt -57.46 -44.24 99.46 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.525 0.78 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.5 Cg_endo -74.88 -33.74 4.52 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.502 1.79 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -62.49 -38.78 91.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.247 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 82.1 mt -70.14 -48.95 55.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -48.06 -62.4 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.319 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' ARG . . . . . 0.444 ' O ' ' N ' ' A' ' 71' ' ' LEU . 0.0 OUTLIER -42.66 -56.03 3.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.259 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.469 HG23 ' CD1' ' A' ' 76' ' ' ILE . 77.8 mt -46.26 -46.75 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.349 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' LEU . . . . . 0.468 ' CD1' HD22 ' A' ' 8' ' ' LEU . 85.5 mt -61.83 -34.43 75.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' ARG . 28.7 mt -80.24 -15.48 56.89 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -100.96 -8.57 22.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LYS . . . . . 0.462 ' CD ' ' O ' ' A' ' 70' ' ' LEU . 2.0 ptmt -42.37 -51.59 4.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.232 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -45.53 -32.72 2.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 110.325 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 72' ' ' ALA . 6.6 mtt180 -93.72 -39.09 10.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.469 ' CD1' HG23 ' A' ' 69' ' ' ILE . 25.3 mt -38.65 143.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ARG . . . . . 0.45 ' N ' HG21 ' A' ' 76' ' ' ILE . 1.4 ttt-85 -160.82 145.53 14.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' PHE . . . . . 0.562 ' CZ ' HG21 ' A' ' 46' ' ' VAL . 5.3 m-85 -112.28 113.84 26.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' VAL . . . . . 0.541 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 21.2 t -94.34 103.47 14.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 0.0 109.378 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ILE . . . . . 0.419 HG21 ' CE1' ' A' ' 83' ' ' HIS . 6.0 mm -95.11 63.54 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 6.0 mttt -46.0 -60.77 2.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.239 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' LYS . . . . . 0.419 ' CB ' HD11 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -100.21 115.07 29.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.451 1.095 . . . . 0.0 109.35 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.419 ' CE1' HG21 ' A' ' 80' ' ' ILE . 0.1 OUTLIER -86.76 -49.79 7.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.56 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLU . . . . . 0.415 ' C ' ' N ' ' A' ' 86' ' ' LEU . 10.2 pt-20 -48.88 -43.81 39.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.493 HD13 ' CG ' ' A' ' 40' ' ' HIS . 12.6 mt -43.72 -27.67 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' LEU . . . . . 0.415 ' N ' ' C ' ' A' ' 84' ' ' GLU . 22.2 mt -68.15 -59.93 2.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 42.38 85.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.35 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.6 t -159.85 163.79 34.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 81.0 p -126.86 -42.87 1.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.415 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? 48.56 86.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.075 . . . . 0.0 110.273 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -109.27 136.55 48.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -166.13 139.75 4.23 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.445 1.091 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -161.14 152.8 19.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.1 m 64.25 123.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.034 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -129.54 100.17 0.49 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.452 1.095 . . . . 0.0 110.965 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 106.79 2.34 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.438 1.757 . . . . 0.0 111.026 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.41 122.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.965 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.0 t -141.21 -58.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.049 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.926 0 O-C-N 124.485 1.116 . . . . 0.0 111.032 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.526 HD22 HD12 ' A' ' 70' ' ' LEU . 24.6 mt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.48 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 2.3 ttm180 -40.61 -57.64 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.342 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.16 -45.1 68.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.636 ' HB2' HD11 ' A' ' 70' ' ' LEU . 3.9 mt-30 -55.45 -48.1 75.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.457 HG21 HD22 ' A' ' 66' ' ' LEU . 51.2 t -70.69 -46.14 70.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.415 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 31.9 mt-10 -49.61 -48.41 49.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.451 1.095 . . . . 0.0 110.28 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -70.1 -34.63 73.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.87 HD21 HD12 ' A' ' 76' ' ' ILE . 3.5 tp -66.88 -58.63 4.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.348 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.451 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.6 m-30 -42.17 -57.04 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.415 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 4.2 mt-10 -60.15 -46.55 89.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -47.25 -63.46 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.519 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 33.8 mmtt -47.77 -54.14 13.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -54.55 -49.69 69.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 110.997 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.549 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -57.02 -39.53 74.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -61.25 -44.42 97.27 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.453 1.096 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.51 -19.37 36.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.527 HG13 ' HB2' ' A' ' 26' ' ' ALA . 4.4 pt -123.14 16.52 5.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 21' ' ' ALA . 4.3 mttm 41.36 58.57 2.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.549 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -106.03 121.05 43.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.58 1.175 . . . . 0.0 109.28 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.83 19.42 8.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -131.13 170.22 21.43 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.563 1.165 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 117.24 4.85 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.449 1.763 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.9 m -111.45 159.99 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.266 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.9 m -103.75 140.27 37.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.376 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 57.2 mt -97.83 114.22 64.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 114.11 3.95 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.719 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 12.0 m-85 -72.08 -36.18 3.96 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.608 1.193 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.719 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.2 Cg_endo -75.03 -63.42 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.525 1.802 . . . . 0.0 110.962 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 34.3 mt -40.48 -38.67 0.88 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.443 ' O ' HG13 ' A' ' 41' ' ' VAL . 8.5 m-85 -79.78 -39.77 30.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 35' ' ' PRO . 1.8 tt0 -65.46 -45.28 84.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.04 -27.78 64.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.056 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -128.21 72.2 1.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.675 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 37' ' ' PHE . 6.8 m -85.64 -9.53 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -89.59 -1.12 57.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.45 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 18.8 m-20 -129.18 -53.48 1.19 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.866 HD21 ' O ' ' A' ' 82' ' ' LYS . 12.5 mt -104.95 112.27 25.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.26 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.558 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 19.2 p90 -155.47 152.98 29.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.732 HG21 ' CE1' ' A' ' 55' ' ' PHE . 5.6 t -96.05 141.42 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.238 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 14.8 mt-10 -128.29 177.9 6.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.26 1.51 75.29 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 49.5 mt -68.94 154.79 94.6 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.557 0.798 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.957 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.94 -173.45 1.57 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.426 1.75 . . . . 0.0 111.041 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -86.46 139.65 30.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 110.334 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.413 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 69.95 29.29 70.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.957 HD12 ' HG2' ' A' ' 50' ' ' PRO . 7.6 mt -150.27 95.67 3.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -160.71 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.777 . . . . 0.0 110.939 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.732 ' CE1' HG21 ' A' ' 46' ' ' VAL . 18.9 t80 -109.66 91.52 3.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.444 ' N ' ' OH ' ' A' ' 61' ' ' TYR . 82.6 mmt-85 -143.53 165.78 26.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.282 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -37.89 125.51 0.99 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 110.254 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.553 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.99 1.56 7.6 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.472 1.775 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.48 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 84.0 p -88.73 8.52 28.38 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.509 1.131 . . . . 0.0 110.047 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.6 p -121.67 -40.38 2.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.434 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.553 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 13.4 m-85 -45.81 150.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.407 ' C ' ' HD2' ' A' ' 64' ' ' PRO . . . -74.06 164.1 54.67 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.647 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.4 mp -56.19 -44.0 99.51 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.549 0.794 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.95 -31.85 5.96 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.479 1.778 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -39.05 91.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.253 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.457 HD22 HG21 ' A' ' 12' ' ' VAL . 56.8 mt -66.32 -54.15 28.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -39.63 -54.93 1.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.266 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.484 ' HD3' HD11 ' A' ' 53' ' ' ILE . 5.2 mtp180 -52.75 -52.97 54.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.569 HD11 ' CG2' ' A' ' 53' ' ' ILE . 86.9 mt -49.88 -34.84 9.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.636 HD11 ' HB2' ' A' ' 11' ' ' GLN . 69.7 mt -77.46 -28.25 52.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 68' ' ' ARG . 66.5 mt -80.49 -16.68 53.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -103.84 -3.37 24.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.438 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -45.82 -40.22 9.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -56.47 -31.0 63.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 72' ' ' ALA . 2.1 mmm180 -96.83 -36.8 10.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.87 HD12 HD21 ' A' ' 15' ' ' LEU . 17.5 mt -38.68 142.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -161.63 148.33 14.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.327 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.519 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 8.5 m-85 -114.31 113.27 24.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.558 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 36.8 t -95.52 115.72 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.414 HD13 ' C ' ' A' ' 79' ' ' VAL . 10.7 mm -105.03 73.38 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.495 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -53.88 -60.31 3.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.371 1.044 . . . . 0.0 109.262 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.866 ' O ' HD21 ' A' ' 44' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.625 HD22 HD12 ' A' ' 70' ' ' LEU . 32.1 mt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.477 ' HD3' ' CB ' ' A' ' 59' ' ' SER . 1.1 ttm180 -47.2 -54.02 11.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.267 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -55.34 -41.93 73.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.632 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.6 mt-30 -59.1 -50.6 73.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.34 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.484 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 52.7 t -68.18 -42.36 84.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -51.26 -53.1 38.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -67.71 -40.13 84.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.273 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.706 HD21 HD12 ' A' ' 76' ' ' ILE . 2.1 tp -60.92 -58.08 9.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.621 1.201 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.485 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 1.9 m-30 -40.58 -57.5 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -55.21 -50.58 69.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.145 . . . . 0.0 110.33 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.66 -68.28 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.564 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 53.3 mmtt -40.51 -60.99 0.99 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -51.81 -49.64 62.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.072 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -58.88 -39.53 81.71 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -65.59 -40.8 93.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.39 -17.86 60.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.417 HG13 ' HB2' ' A' ' 26' ' ' ALA . 4.6 pt -122.62 10.54 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 21' ' ' ALA . 2.2 mtmp? 46.35 62.57 2.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -112.59 122.72 48.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.247 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.46 24.32 4.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -136.21 170.22 23.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 116.87 4.72 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.395 1.734 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.9 m -111.17 165.12 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 95.6 m -103.37 145.54 29.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 110.383 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.485 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 38.3 mt -101.98 119.79 55.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.364 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.482 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.2 Cg_endo -74.98 107.83 2.58 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.446 1.761 . . . . 0.0 111.008 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.706 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 6.9 m-85 -80.45 -37.76 1.05 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 110.942 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.706 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.5 Cg_endo -74.95 -68.68 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.424 1.749 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.453 ' HB2' ' HB2' ' A' ' 33' ' ' PRO . 41.5 mt -36.04 -51.24 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.367 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 2.0 m-85 -52.26 -50.77 61.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 35' ' ' PRO . 3.3 mm-40 -50.69 -37.26 40.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.23 -28.52 57.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.966 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -129.37 68.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.602 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.2 m -81.51 -11.91 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -79.14 -36.62 40.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.477 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 0.5 OUTLIER -102.7 -55.43 2.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.4 mt -90.42 111.56 22.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.357 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.858 ' OH ' HG11 ' A' ' 79' ' ' VAL . 47.8 p90 -166.41 162.99 17.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 110.99 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.693 HG21 ' CE1' ' A' ' 55' ' ' PHE . 24.7 t -105.84 150.21 8.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 10.1 mt-10 -137.82 179.56 6.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.26 1.81 70.92 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.425 HD13 ' O ' ' A' ' 54' ' ' PRO . 73.1 mt -70.18 153.79 95.01 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 109.238 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.92 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.1 Cg_endo -75.01 178.58 7.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.527 1.804 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.03 138.66 38.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.405 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 70.14 29.59 70.36 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.92 HD12 ' HG2' ' A' ' 50' ' ' PRO . 10.5 mt -150.68 95.92 3.42 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.448 0.734 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.425 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.95 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.514 1.797 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.693 ' CE1' HG21 ' A' ' 46' ' ' VAL . 10.7 t80 -109.32 85.42 2.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 57' ' ' ARG . 76.5 mmt-85 -135.71 165.52 25.38 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.539 1.15 . . . . 0.0 110.308 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' ARG . 1.0 OUTLIER -36.94 127.71 0.76 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.413 1.07 . . . . 0.0 110.289 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.484 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.98 0.69 8.6 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.524 1.802 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.477 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -96.33 9.0 42.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 60' ' ' THR . 0.5 OUTLIER -128.47 4.71 5.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.39 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.637 ' HB2' HD21 ' A' ' 66' ' ' LEU . 4.9 m-85 -93.54 156.78 16.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.58 163.5 53.7 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.533 1.145 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.638 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 7.4 mt -57.0 -44.44 99.79 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.437 0.728 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.0 -32.82 5.05 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.525 1.803 . . . . 0.0 111.04 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.408 ' HD3' HG23 ' A' ' 53' ' ' ILE . 1.5 mtt180 -65.01 -39.5 93.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.27 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.637 HD21 ' HB2' ' A' ' 61' ' ' TYR . 85.3 mt -68.18 -50.94 51.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.244 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.454 ' HG2' HD21 ' A' ' 8' ' ' LEU . 0.8 OUTLIER -42.1 -60.52 1.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 72' ' ' ALA . 4.5 mtp180 -47.07 -53.04 13.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.549 ' O ' HD11 ' A' ' 76' ' ' ILE . 87.7 mt -48.93 -33.61 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.632 HD11 ' HB2' ' A' ' 11' ' ' GLN . 76.7 mt -80.59 -32.05 36.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 68' ' ' ARG . 36.1 mt -78.96 -14.86 58.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -105.6 -2.88 22.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.554 ' HB2' HD11 ' A' ' 15' ' ' LEU . 1.7 ptmt -44.08 -46.67 8.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -50.42 -32.48 17.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 72' ' ' ALA . 3.2 mtm180 -94.27 -39.18 10.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.071 . . . . 0.0 110.342 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.706 HD12 HD21 ' A' ' 15' ' ' LEU . 17.9 mt -37.98 143.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -161.09 146.2 14.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.285 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.564 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 3.0 m-85 -112.0 107.5 16.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.926 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.858 HG11 ' OH ' ' A' ' 45' ' ' TYR . 41.4 t -85.15 117.5 30.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.9 mm -112.26 65.95 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.373 1.046 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.477 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 5.0 mttt -54.05 -53.1 57.68 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.354 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.578 HD22 HD12 ' A' ' 70' ' ' LEU . 30.6 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.446 ' HD3' ' CB ' ' A' ' 59' ' ' SER . 0.7 OUTLIER -38.0 -56.06 1.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 110.214 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -55.41 -48.34 74.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.257 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.596 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.5 mt-30 -53.16 -55.86 20.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.5 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 54.0 t -62.41 -43.07 97.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -49.66 -56.99 8.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.247 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.64 -36.58 81.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.808 HD21 HD12 ' A' ' 76' ' ' ILE . 1.7 tp -64.94 -63.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.404 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 3.1 m-30 -38.22 -56.5 1.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.62 -45.47 92.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.406 1.066 . . . . 0.0 110.244 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.9 mtt-85 -48.44 -62.45 1.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 110.347 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.513 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 27.2 mmtt -47.08 -55.97 7.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -53.74 -49.33 68.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.712 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -58.04 -40.82 81.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -59.2 -44.03 92.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 110.342 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.03 -26.45 62.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.236 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.514 HG13 ' HB2' ' A' ' 26' ' ' ALA . 4.1 pt -114.9 16.03 7.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 21' ' ' ALA . 4.7 mttp 42.74 57.16 3.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.712 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -101.4 125.22 48.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -98.32 27.37 4.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.9 170.69 25.16 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 116.79 4.69 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.564 1.823 . . . . 0.0 111.016 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.7 m -111.34 162.53 8.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.233 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 94.1 m -104.1 143.66 32.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.404 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.404 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 66.0 mt -100.3 113.03 65.25 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.349 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.431 ' CB ' HD12 ' A' ' 36' ' ' LEU . 18.4 Cg_endo -74.95 114.35 4.01 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.725 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 17.5 m-85 -73.21 -35.84 2.94 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.725 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.4 Cg_endo -74.86 -58.7 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.51 1.794 . . . . 0.0 111.067 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.431 HD12 ' CB ' ' A' ' 33' ' ' PRO . 26.9 mt -45.51 -40.28 8.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.514 ' O ' HG13 ' A' ' 41' ' ' VAL . 8.9 m-85 -78.11 -31.01 49.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.418 ' HB3' ' HA ' ' A' ' 35' ' ' PRO . 41.4 tp60 -69.85 -49.35 53.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.143 . . . . 0.0 110.251 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.63 -29.87 68.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.409 1.068 . . . . 0.0 110.052 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -123.32 76.2 1.37 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.071 . . . . 0.0 109.554 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.514 HG13 ' O ' ' A' ' 37' ' ' PHE . 3.5 m -90.59 -14.48 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -84.27 -5.88 59.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.62 -58.43 1.59 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.623 HD21 ' O ' ' A' ' 82' ' ' LYS . 27.0 mt -98.88 117.33 33.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.406 1.066 . . . . 0.0 109.363 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.845 ' OH ' HG11 ' A' ' 79' ' ' VAL . 40.4 p90 -160.64 155.88 24.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.773 HG21 ' CE1' ' A' ' 55' ' ' PHE . 15.4 t -100.82 142.89 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 9.1 mt-10 -131.38 -179.96 5.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.316 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.8 1.83 68.44 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.2 mt -70.46 152.95 95.35 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.555 0.797 . . . . 0.0 109.35 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.911 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.02 177.16 8.96 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.556 1.819 . . . . 0.0 111.017 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.0 141.21 40.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.411 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 68.44 29.27 72.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.911 HD12 ' HG2' ' A' ' 50' ' ' PRO . 8.7 mt -150.7 96.41 3.37 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.574 0.808 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.04 -162.85 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.486 1.782 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.773 ' CE1' HG21 ' A' ' 46' ' ' VAL . 9.1 t80 -107.54 84.06 1.9 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.436 ' N ' ' OH ' ' A' ' 61' ' ' TYR . 0.8 OUTLIER -134.56 165.14 25.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' ARG . 6.2 mtt180 -37.92 133.42 0.88 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.5 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.97 1.92 7.19 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.472 1.775 . . . . 0.0 111.038 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.446 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -97.23 8.37 44.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.987 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 19.0 p -125.7 5.36 7.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 110.382 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.436 ' OH ' ' N ' ' A' ' 56' ' ' ARG . 8.6 m-85 -99.13 148.5 24.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.05 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.404 ' C ' ' HD2' ' A' ' 64' ' ' PRO . . . -68.34 164.14 48.1 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.113 . . . . 0.0 111.072 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.644 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 29.4 mt -55.58 -44.19 99.53 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.532 0.784 . . . . 0.0 109.307 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.98 -33.12 4.85 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.48 1.779 . . . . 0.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.412 ' HD3' HG23 ' A' ' 53' ' ' ILE . 3.1 mtt180 -61.82 -43.63 98.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' A' ' 61' ' ' TYR . 87.0 mt -64.64 -52.97 54.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -40.41 -60.09 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.456 ' HD3' HD11 ' A' ' 53' ' ' ILE . 4.5 mtp180 -48.36 -52.3 22.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.267 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.536 ' O ' HD11 ' A' ' 76' ' ' ILE . 95.5 mt -49.71 -34.31 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.596 HD11 ' HB2' ' A' ' 11' ' ' GLN . 81.2 mt -78.23 -33.87 49.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 32.1 mt -76.34 -22.61 54.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . -95.45 -3.34 47.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.252 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.444 ' HB2' HD11 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -47.34 -44.0 23.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -54.26 -18.92 4.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 72' ' ' ALA . 20.0 mmt180 -109.61 -37.41 5.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.328 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.808 HD12 HD21 ' A' ' 15' ' ' LEU . 20.8 mt -39.12 143.9 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -161.69 147.74 13.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.337 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.513 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 8.2 m-85 -115.3 105.71 13.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.127 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.845 HG11 ' OH ' ' A' ' 45' ' ' TYR . 21.8 t -84.23 126.12 40.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.441 HG23 HD22 ' A' ' 44' ' ' LEU . 4.6 mm -118.05 87.85 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -55.99 8.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.623 ' O ' HD21 ' A' ' 44' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.544 0 O-C-N 124.504 1.128 . . . . 0.0 109.368 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.709 HD22 HD12 ' A' ' 70' ' ' LEU . 52.9 mt . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.482 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 2.2 ttm180 -45.57 -57.85 3.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -52.05 -44.05 64.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -56.38 -49.67 73.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 110.298 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 51.1 t -68.51 -45.06 82.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -50.45 -51.91 42.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -68.74 -40.19 79.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.584 HD21 HD12 ' A' ' 76' ' ' ILE . 1.2 tp -60.27 -56.94 15.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.465 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 1.8 m-30 -41.24 -56.96 2.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 111.031 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -57.09 -49.96 74.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -42.17 -63.43 0.75 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.468 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 46.0 mmtt -45.87 -57.89 3.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -52.76 -46.83 67.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.404 1.065 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.527 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -60.52 -39.04 86.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.362 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -62.47 -44.03 97.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.345 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.51 -18.12 37.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.503 HG13 ' HB2' ' A' ' 26' ' ' ALA . 3.5 pt -123.14 15.05 5.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.373 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 21' ' ' ALA . 5.1 mttt 42.83 58.87 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.527 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -107.79 125.16 51.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -96.39 13.29 28.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -124.77 170.47 16.79 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.485 1.116 . . . . 0.0 111.028 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 117.17 4.81 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.386 1.73 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.4 m -110.96 163.18 7.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.573 1.171 . . . . 0.0 109.274 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 65.6 m -103.45 141.99 35.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.481 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 67.1 mt -96.95 119.79 62.81 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.385 1.053 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.435 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.4 Cg_endo -75.02 106.74 2.33 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.504 1.791 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.717 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 7.9 m-85 -76.59 -37.21 1.87 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.581 1.176 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.717 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.4 Cg_endo -75.02 -65.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.789 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 35' ' ' PRO . 10.2 mt -38.05 -48.47 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.554 ' O ' HG13 ' A' ' 41' ' ' VAL . 3.5 m-85 -59.97 -47.33 86.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 111.029 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 35' ' ' PRO . 1.7 mm-40 -54.28 -38.31 65.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.35 -16.89 35.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.041 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 18.0 m80 -130.02 63.19 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.596 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.554 HG13 ' O ' ' A' ' 37' ' ' PHE . 13.8 m -85.26 -12.36 11.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -84.97 -13.94 49.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.331 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.486 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 19.1 m-20 -125.18 -53.45 1.62 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.53 1.144 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.5 mt -96.25 112.74 24.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.741 ' OH ' HG11 ' A' ' 79' ' ' VAL . 46.2 p90 -163.26 162.88 25.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.813 HG21 ' CE1' ' A' ' 55' ' ' PHE . 31.9 t -106.91 140.97 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 8.9 mt-10 -129.01 -178.74 4.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.332 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.39 1.6 70.84 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.548 1.155 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.474 HD13 ' O ' ' A' ' 54' ' ' PRO . 72.3 mt -70.05 156.18 92.24 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.928 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.5 Cg_endo -74.96 -177.86 3.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.436 1.756 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -81.12 137.73 35.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.13 30.4 69.76 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.56 1.162 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.928 HD12 ' HG2' ' A' ' 50' ' ' PRO . 10.8 mt -150.49 95.38 3.53 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.777 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.474 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.6 Cg_endo -74.94 -161.47 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.545 1.813 . . . . 0.0 111.087 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.813 ' CE1' HG21 ' A' ' 46' ' ' VAL . 17.6 t80 -109.57 89.31 2.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 57' ' ' ARG . 25.6 mmt85 -139.94 166.1 25.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -36.07 125.36 0.69 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.515 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.03 1.13 8.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.482 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 54.2 p -95.56 3.89 53.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 110.002 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.48 -9.2 9.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.413 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.699 ' HB2' HD21 ' A' ' 66' ' ' LEU . 6.4 m-85 -79.11 157.94 27.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.07 163.75 52.42 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.564 1.165 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.651 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 62.7 mt -57.78 -43.6 98.81 Favored Pre-proline 0 C--N 1.327 -0.413 0 O-C-N 124.462 0.742 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -75.02 -32.51 5.29 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.457 1.767 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.06 -41.75 94.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.237 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.699 HD21 ' HB2' ' A' ' 61' ' ' TYR . 96.1 mt -65.25 -50.71 64.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -41.89 -59.63 1.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 72' ' ' ALA . 2.7 mtt-85 -49.19 -50.45 37.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.529 HG23 HD11 ' A' ' 76' ' ' ILE . 92.9 mt -52.38 -32.98 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.709 HD12 HD22 ' A' ' 8' ' ' LEU . 80.3 mt -79.15 -28.27 42.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.6 mt -84.95 -13.2 51.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -104.44 -4.64 22.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.613 1.196 . . . . 0.0 109.348 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.55 ' HB2' HD11 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -44.81 -43.91 9.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.401 1.063 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -52.86 -31.27 38.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 72' ' ' ALA . 2.4 mtt180 -95.97 -38.86 10.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.584 HD12 HD21 ' A' ' 15' ' ' LEU . 20.1 mt -37.74 142.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 10.0 ttt180 -160.55 145.63 14.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 5.5 m-85 -112.34 109.74 19.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 110.94 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.741 HG11 ' OH ' ' A' ' 45' ' ' TYR . 30.7 t -88.35 119.78 36.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.405 1.066 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.5 mm -109.4 60.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.486 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 6.5 mttt -44.7 -57.8 3.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.408 1.067 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.621 HD22 HD12 ' A' ' 70' ' ' LEU . 43.0 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.48 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 0.2 OUTLIER -42.65 -53.61 4.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -55.83 -43.74 77.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.615 ' HB2' HD11 ' A' ' 70' ' ' LEU . 3.2 mt-30 -57.02 -51.92 67.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.231 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 49.2 t -67.04 -41.89 87.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -53.28 -54.18 40.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.66 -36.49 82.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.758 HD21 HD12 ' A' ' 76' ' ' ILE . 1.0 OUTLIER -64.11 -58.53 6.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.472 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.0 m-30 -40.72 -53.89 2.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.64 -50.24 74.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.26 -62.82 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.277 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.443 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 37.9 mmtt -47.96 -54.61 12.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.346 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -54.97 -45.75 75.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.98 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.531 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -60.88 -38.75 86.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -60.75 -45.39 94.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.437 1.085 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.69 -22.73 47.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.548 HG13 ' HB2' ' A' ' 26' ' ' ALA . 3.8 pt -119.69 18.21 6.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.14 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 21' ' ' ALA . 2.2 mtmm 39.14 59.62 1.64 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.548 ' HB2' HG13 ' A' ' 24' ' ' ILE . . . -107.06 122.72 47.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -93.91 27.95 2.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.42 170.52 25.05 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 . 005 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 117.12 4.8 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.778 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.49 HG11 HD11 ' A' ' 24' ' ' ILE . 5.8 m -109.03 166.42 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 95.1 m -103.56 144.21 31.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.376 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.472 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 64.5 mt -104.31 112.08 65.34 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.368 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.462 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 18.3 Cg_endo -74.93 116.85 4.72 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.507 1.793 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.74 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 13.4 m-85 -76.66 -33.96 1.25 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.589 1.181 . . . . 0.0 111.084 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.74 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -75.05 -69.23 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.992 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.462 ' HB2' ' HB2' ' A' ' 33' ' ' PRO . 63.8 mt -36.93 -46.62 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.452 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 8.1 m-85 -66.98 -45.96 76.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 35' ' ' PRO . 2.7 tt0 -63.86 -32.01 73.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.325 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 t -75.2 -35.71 61.48 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -118.54 63.69 0.77 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.573 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.402 HG22 ' H ' ' A' ' 41' ' ' VAL . 6.6 m -74.34 -9.51 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -91.3 -13.51 32.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.436 1.085 . . . . 0.0 110.378 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.433 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 1.0 OUTLIER -119.92 -58.34 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.875 HD21 ' O ' ' A' ' 82' ' ' LYS . 11.9 mt -95.62 117.37 30.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.567 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 24.2 p90 -163.29 152.65 14.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.652 HG21 ' CE1' ' A' ' 55' ' ' PHE . 7.3 t -93.88 148.27 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 5.3 mt-10 -134.56 178.08 7.27 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.434 1.084 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.97 1.37 67.78 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.414 1.072 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 45.8 mt -68.94 152.3 96.87 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.559 0.799 . . . . 0.0 109.283 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.958 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.01 -177.55 3.55 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.537 1.809 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.89 139.87 33.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.424 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 70.32 29.09 70.49 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.541 1.151 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.958 HD12 ' HG2' ' A' ' 50' ' ' PRO . 6.8 mt -150.65 96.49 3.37 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -160.41 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.459 1.768 . . . . 0.0 111.055 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.652 ' CE1' HG21 ' A' ' 46' ' ' VAL . 15.2 t80 -110.19 87.28 2.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 111.053 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 57' ' ' ARG . 11.9 mmt-85 -139.01 165.62 26.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 56' ' ' ARG . 60.2 mtt180 -37.74 125.59 0.96 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.133 . . . . 0.0 110.265 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.567 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.01 1.87 7.26 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.536 1.808 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.48 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 81.4 p -88.45 8.68 26.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.43 1.081 . . . . 0.0 109.995 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.7 p -122.01 -42.39 2.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.397 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.567 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 13.5 m-85 -42.88 146.19 0.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.408 ' C ' ' HD2' ' A' ' 64' ' ' PRO . . . -71.56 164.48 53.99 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.476 1.11 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.635 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 32.5 mt -54.98 -44.39 99.55 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.537 0.786 . . . . 0.0 109.379 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.08 -32.87 4.93 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.542 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -65.52 -40.45 93.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.427 1.079 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.519 HD21 ' HB2' ' A' ' 61' ' ' TYR . 74.6 mt -65.64 -53.2 44.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.567 1.167 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -40.36 -60.11 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 0.0 110.334 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.578 ' HD3' HD11 ' A' ' 53' ' ' ILE . 3.1 mtp180 -46.91 -54.57 9.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.658 HD11 ' CG2' ' A' ' 53' ' ' ILE . 84.6 mt -48.35 -36.57 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.621 HD12 HD22 ' A' ' 8' ' ' LEU . 86.1 mt -75.73 -33.05 60.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' ARG . 63.9 mt -78.17 -12.11 59.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -106.77 -4.69 19.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.49 ' HB2' HD11 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -42.96 -50.45 5.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -47.25 -33.43 5.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 72' ' ' ALA . 0.9 OUTLIER -92.73 -39.1 11.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.227 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.758 HD12 HD21 ' A' ' 15' ' ' LEU . 16.6 mt -38.48 143.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.35 146.16 8.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.339 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.443 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 7.9 m-85 -110.4 110.64 21.49 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.446 1.091 . . . . 0.0 111.022 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.567 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 27.3 t -90.23 113.08 25.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.421 1.076 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.3 mm -103.87 71.21 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.433 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -51.82 -59.29 4.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.875 ' O ' HD21 ' A' ' 44' ' ' LEU . 1.1 mmpp? . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.246 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 63' ' ' ILE . 23.7 mt . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.487 ' HD3' ' CB ' ' A' ' 59' ' ' SER . 0.5 OUTLIER -39.75 -53.66 2.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 ttpp -58.12 -44.54 87.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.224 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 8' ' ' LEU . 3.3 mt-30 -58.7 -55.61 32.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.45 HG11 ' HB3' ' A' ' 58' ' ' PRO . 53.6 t -62.33 -45.09 99.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -49.13 -51.31 32.88 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.423 1.077 . . . . 0.0 110.274 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -68.85 -40.76 79.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 110.363 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.754 HD21 HD12 ' A' ' 76' ' ' ILE . 1.5 tp -60.41 -59.65 5.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.478 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 1.8 m-30 -39.59 -57.11 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -58.32 -53.31 59.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 mtm-85 -39.53 -62.03 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.268 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.481 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 41.0 mmtt -45.55 -60.87 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -53.13 -51.75 60.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -54.95 -38.53 67.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.37 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -67.66 -38.98 84.55 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.403 1.064 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.22 -14.78 57.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 pt -123.47 2.88 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 21' ' ' ALA . 1.8 mtmt 55.25 61.76 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -113.27 124.26 52.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.67 25.88 3.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.59 170.22 24.28 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 117.35 4.88 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.429 1.752 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.0 m -111.34 165.63 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.243 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.9 m -103.29 142.11 34.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.43 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 28.3 mt -97.69 121.69 57.28 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.465 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.6 Cg_endo -74.92 108.86 2.81 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 111.061 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.709 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 4.4 m-85 -81.02 -37.83 0.96 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.08 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.709 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.2 Cg_endo -75.05 -68.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.782 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 35' ' ' PRO . 33.9 mt -36.4 -47.89 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.465 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 2.1 m-85 -57.54 -50.2 73.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.424 1.077 . . . . 0.0 111.009 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 35' ' ' PRO . 6.1 mm100 -54.59 -42.33 70.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.8 p -67.19 -33.21 74.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 14.5 m80 -124.3 70.15 1.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.661 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.6 m -82.48 -6.92 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 109.228 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -90.23 -15.67 30.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.244 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.492 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 21.8 m-20 -121.78 -49.41 2.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.244 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.0 mt -97.87 124.39 42.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.577 ' OH ' HG11 ' A' ' 79' ' ' VAL . 45.7 p90 -177.47 161.29 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.59 HG21 ' CE1' ' A' ' 55' ' ' PHE . 14.7 t -104.37 151.8 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.398 1.061 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 12.6 mt-10 -137.1 -179.58 5.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.8 1.57 67.55 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.478 1.111 . . . . 0.0 111.044 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.1 mt -70.05 155.07 94.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 0.74 . . . . 0.0 109.334 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.947 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.1 Cg_endo -75.02 -174.84 2.09 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -84.12 137.89 33.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.05 30.54 69.83 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.493 1.12 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.947 HD12 ' HG2' ' A' ' 50' ' ' PRO . 10.8 mt -150.11 96.29 3.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -162.06 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.79 . . . . 0.0 110.98 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.59 ' CE1' HG21 ' A' ' 46' ' ' VAL . 10.9 t80 -109.67 85.38 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 57' ' ' ARG . 21.4 mmt180 -135.42 165.52 25.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.8 OUTLIER -37.31 127.15 0.85 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.506 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.99 1.51 7.66 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.495 1.787 . . . . 0.0 111.024 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.487 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 26.3 p -95.54 5.21 52.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.021 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -123.71 -3.2 8.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.439 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.506 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 5.0 m-85 -84.47 157.6 21.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.64 164.01 53.85 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.561 1.163 . . . . 0.0 110.952 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.658 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 2.0 mp -59.32 -43.17 96.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.466 0.745 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.658 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -75.0 -29.27 8.4 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.543 1.812 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.632 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.4 OUTLIER -64.65 -49.55 70.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.372 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.433 HD13 ' N ' ' A' ' 9' ' ' ARG . 89.8 mt -58.41 -56.82 17.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 66' ' ' LEU . 2.6 mt-10 -37.16 -57.49 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.34 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.486 ' HD3' HD11 ' A' ' 53' ' ' ILE . 11.5 mtp180 -52.97 -51.78 60.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.356 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.575 HD11 ' CG2' ' A' ' 53' ' ' ILE . 93.7 mt -50.7 -31.93 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 63.7 mt -77.93 -31.89 51.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 76.7 mt -78.99 -15.33 58.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -102.29 -3.23 27.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.46 ' HB2' HD11 ' A' ' 15' ' ' LEU . 2.2 ptmt -47.98 -43.35 29.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -55.63 -17.98 6.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 76' ' ' ILE . 20.8 mmt180 -110.81 -36.89 5.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.578 1.174 . . . . 0.0 110.27 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.754 HD12 HD21 ' A' ' 15' ' ' LEU . 22.4 mt -39.28 143.99 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -160.73 145.67 14.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 4.9 m-85 -111.24 106.98 16.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.577 HG11 ' OH ' ' A' ' 45' ' ' TYR . 16.9 t -85.07 129.88 37.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.441 1.088 . . . . 0.0 109.341 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.1 mm -121.96 64.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.492 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 3.6 mtmt -47.62 -55.59 9.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 109.351 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.498 HD22 HD12 ' A' ' 70' ' ' LEU . 51.8 mt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.455 ' HD3' ' CB ' ' A' ' 59' ' ' SER . 1.8 ttm-85 -38.75 -54.48 1.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.27 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -56.45 -47.05 79.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.528 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.9 mt-30 -53.59 -47.59 69.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.297 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 52.6 t -71.06 -45.35 72.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -51.55 -49.48 61.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -71.65 -39.82 70.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.268 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.595 HD22 HD23 ' A' ' 70' ' ' LEU . 2.6 tp -61.13 -52.7 63.76 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.474 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 1.7 m-30 -45.63 -60.56 2.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.554 1.159 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -51.85 -52.1 51.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -39.01 -64.44 0.45 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.554 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 41.3 mmtt -45.2 -59.8 2.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -51.27 -46.23 62.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.436 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -61.26 -38.82 88.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.387 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -62.6 -45.52 92.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.77 -19.58 29.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.512 HG13 ' HB2' ' A' ' 26' ' ' ALA . 6.1 pt -122.99 17.4 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.256 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 21' ' ' ALA . 15.6 mmtm 39.04 61.04 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.256 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.512 ' HB2' HG13 ' A' ' 24' ' ' ILE . . . -108.45 120.5 42.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.347 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.14 23.75 3.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -136.2 170.06 23.41 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.555 1.16 . . . . 0.0 110.946 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 117.17 4.82 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.409 HG11 HD11 ' A' ' 24' ' ' ILE . 8.7 m -110.33 164.84 6.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.9 m -103.08 145.05 30.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.39 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.474 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 41.9 mt -102.01 119.89 55.43 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.446 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.2 Cg_endo -74.9 105.8 2.15 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.519 1.799 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.729 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 9.0 m-85 -79.54 -36.11 1.04 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.729 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.1 Cg_endo -75.06 -68.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.44 ' HB2' ' HB2' ' A' ' 33' ' ' PRO . 40.8 mt -36.75 -54.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.592 1.182 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.446 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 2.3 m-85 -49.48 -47.6 48.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 35' ' ' PRO . 3.2 mm-40 -57.71 -35.28 70.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 71.5 p -83.81 -9.46 58.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.988 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 20.5 m80 -146.25 68.91 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.524 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.0 m -86.0 -12.31 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -87.01 -8.61 57.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -124.96 -51.73 1.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.4 mt -101.9 112.27 24.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.391 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.611 ' OH ' HG11 ' A' ' 79' ' ' VAL . 22.0 p90 -160.22 157.64 28.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.736 HG21 ' CE1' ' A' ' 55' ' ' PHE . 28.4 t -101.22 151.02 5.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.419 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 5.6 mt-10 -136.15 179.83 6.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.93 1.98 69.68 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.0 mt -72.92 155.99 90.11 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.557 0.799 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.926 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.98 -172.67 1.32 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.476 1.777 . . . . 0.0 111.037 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.33 139.67 30.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.18 29.91 70.04 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.547 1.154 . . . . 0.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.926 HD12 ' HG2' ' A' ' 50' ' ' PRO . 11.0 mt -150.28 96.58 3.44 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.525 0.779 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -162.38 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.551 1.816 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.736 ' CE1' HG21 ' A' ' 46' ' ' VAL . 22.3 t80 -109.99 76.4 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 57' ' ' ARG . 8.1 mmt180 -125.01 165.79 17.52 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.458 1.099 . . . . 0.0 110.267 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.4 OUTLIER -36.58 124.85 0.76 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.356 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.523 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.93 1.5 7.63 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.435 1.755 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.455 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 38.4 p -97.38 9.1 43.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.951 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 60' ' ' THR . 1.1 t -132.7 15.49 4.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.439 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.783 ' HB2' HD21 ' A' ' 66' ' ' LEU . 2.6 m-85 -99.62 160.81 14.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.436 1.085 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.43 163.38 52.85 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.423 1.077 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.632 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 21.3 mt -58.95 -44.59 99.09 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.341 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -75.09 -30.37 7.11 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.476 1.777 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.65 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.4 OUTLIER -63.98 -46.11 86.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.16 . . . . 0.0 110.357 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.783 HD21 ' HB2' ' A' ' 61' ' ' TYR . 94.5 mt -63.05 -55.42 25.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -38.8 -60.09 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.419 ' HD3' HD11 ' A' ' 53' ' ' ILE . 6.0 mtp180 -48.38 -52.9 19.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.545 HG23 HD11 ' A' ' 76' ' ' ILE . 96.8 mt -49.12 -35.69 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.595 HD23 HD22 ' A' ' 15' ' ' LEU . 83.2 mt -76.31 -33.89 59.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 50.1 mt -76.98 -12.89 60.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.384 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -107.68 -3.59 19.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.44 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -47.53 -36.99 11.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.244 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -59.22 -27.47 65.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 76' ' ' ILE . 2.6 mtt180 -101.33 -36.93 8.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.545 HD11 HG23 ' A' ' 69' ' ' ILE . 28.6 mt -38.41 144.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.236 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -160.61 146.94 15.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.554 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 4.1 m-85 -111.06 107.03 16.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 111.033 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.611 HG11 ' OH ' ' A' ' 45' ' ' TYR . 39.8 t -85.54 135.29 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.55 HD13 ' O ' ' A' ' 79' ' ' VAL . 3.1 mm -126.25 75.17 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -51.78 68.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.09 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.437 1.085 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.532 HD22 HD12 ' A' ' 70' ' ' LEU . 42.1 mt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 9' ' ' ARG . 1.9 ttm105 -38.81 -53.85 1.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.43 -46.47 83.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.376 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.69 ' HB2' HD11 ' A' ' 70' ' ' LEU . 5.2 mt-30 -54.74 -53.2 58.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.591 1.182 . . . . 0.0 110.264 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 54.2 t -65.82 -44.89 92.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -49.19 -53.17 22.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.288 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -66.28 -39.73 89.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 110.317 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.69 HD21 HD12 ' A' ' 76' ' ' ILE . 1.4 tp -61.58 -61.46 2.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.133 . . . . 0.0 109.319 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.455 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.4 m-30 -37.6 -56.9 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 111.077 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 18' ' ' ARG . 3.6 mt-10 -56.95 -53.85 53.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' GLU . 0.9 OUTLIER -38.55 -64.79 0.4 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 110.305 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.57 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 59.6 mmtt -43.02 -59.13 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.426 1.079 . . . . 0.0 109.231 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -54.72 -54.31 43.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -53.15 -38.3 62.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -67.3 -40.21 86.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.35 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.13 -18.8 63.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.9 pt -119.87 6.99 6.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.607 1.192 . . . . 0.0 109.285 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 21' ' ' ALA . 0.2 OUTLIER 49.59 64.34 1.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -114.43 123.18 48.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -92.9 27.15 2.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -140.69 169.64 24.79 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.135 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 117.13 4.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.462 1.77 . . . . 0.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.0 m -110.85 163.86 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.9 m -103.04 145.14 30.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.371 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 19.2 mt -101.19 119.25 58.38 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.453 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 18.4 Cg_endo -74.97 105.37 2.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.525 1.803 . . . . 0.0 111.049 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.749 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 13.0 m-85 -78.39 -34.59 1.06 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.376 1.048 . . . . 0.0 110.975 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.749 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -75.01 -69.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.496 1.788 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.453 ' HB2' ' HB2' ' A' ' 33' ' ' PRO . 54.3 mt -36.39 -54.74 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.532 ' CZ ' ' HB3' ' A' ' 44' ' ' LEU . 3.0 m-85 -51.1 -51.04 57.33 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.418 1.074 . . . . 0.0 111.015 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 35' ' ' PRO . 2.9 mm-40 -51.58 -33.39 32.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.79 -27.56 33.66 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.531 1.144 . . . . 0.0 109.98 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -126.53 58.05 1.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.537 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.9 m -73.29 -12.43 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -82.84 -25.51 32.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.305 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.43 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 0.6 OUTLIER -108.47 -55.9 2.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 47.1 mt -93.48 112.45 24.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.244 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.551 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 17.2 p90 -161.07 151.02 17.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 110.972 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.698 HG21 ' CE1' ' A' ' 55' ' ' PHE . 30.7 t -97.86 148.41 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 4.5 mt-10 -133.32 -178.77 5.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.95 1.88 69.44 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.431 HD13 ' O ' ' A' ' 54' ' ' PRO . 73.3 mt -69.99 153.49 95.36 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.949 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.1 Cg_endo -75.03 -172.0 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.457 1.767 . . . . 0.0 110.947 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.13 137.76 32.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.393 1.058 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.407 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 69.89 29.75 70.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.136 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.949 HD12 ' HG2' ' A' ' 50' ' ' PRO . 8.0 mt -150.22 95.96 3.53 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.526 0.78 . . . . 0.0 109.301 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.431 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.98 -161.43 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.457 1.767 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.698 ' CE1' HG21 ' A' ' 46' ' ' VAL . 8.5 t80 -109.59 83.41 1.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 57' ' ' ARG . 0.4 OUTLIER -134.96 165.7 24.73 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.496 1.122 . . . . 0.0 110.253 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.518 ' HB3' HG23 ' A' ' 60' ' ' THR . 2.8 mtt180 -36.17 129.56 0.64 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.347 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.486 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.5 Cg_endo -74.94 2.89 6.09 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.519 1.799 . . . . 0.0 111.051 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.457 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 1.2 m -97.38 6.35 48.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.97 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.518 HG23 ' HB3' ' A' ' 57' ' ' ARG . 15.5 p -121.03 -6.3 9.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 110.407 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.451 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 9.6 m-85 -86.05 150.39 24.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.407 ' C ' ' HD2' ' A' ' 64' ' ' PRO . . . -70.78 164.09 53.34 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.431 1.082 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.649 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 34.5 mt -56.11 -43.92 99.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.439 0.729 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.99 -32.6 5.25 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.517 1.799 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.645 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -64.27 -44.57 91.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.375 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.432 HD21 ' HB2' ' A' ' 61' ' ' TYR . 77.5 mt -61.88 -54.42 42.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -39.82 -61.35 0.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.5 ' HD3' HD11 ' A' ' 53' ' ' ILE . 0.5 OUTLIER -45.55 -55.04 6.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.607 HD11 ' CG2' ' A' ' 53' ' ' ILE . 89.1 mt -47.89 -38.36 7.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.69 HD11 ' HB2' ' A' ' 11' ' ' GLN . 76.9 mt -73.6 -32.8 64.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 68' ' ' ARG . 54.3 mt -76.54 -25.57 54.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.133 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -93.47 -2.87 53.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.469 ' HB2' HD11 ' A' ' 15' ' ' LEU . 1.5 ptmt -44.18 -46.65 8.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -50.29 -32.04 15.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.235 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 72' ' ' ALA . 9.8 mmt180 -94.77 -39.7 10.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.349 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.69 HD12 HD21 ' A' ' 15' ' ' LEU . 19.5 mt -37.74 142.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 2.8 ttp180 -160.97 142.44 11.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.359 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.57 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 4.8 m-85 -107.94 109.8 21.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 111.04 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.551 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 39.7 t -89.39 128.44 41.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.8 mm -118.98 78.81 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.43 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -61.79 -49.61 75.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.249 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.695 HD22 HD12 ' A' ' 70' ' ' LEU . 55.8 mt . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.492 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 2.3 ttm180 -41.67 -49.77 4.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -60.75 -44.21 97.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.254 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.59 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.3 mt-30 -58.06 -52.79 64.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.446 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 49.2 t -66.67 -42.68 90.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -54.02 -54.38 39.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.81 -34.57 78.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.419 1.074 . . . . 0.0 110.26 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.672 HD21 HD12 ' A' ' 76' ' ' ILE . 1.4 tp -66.0 -54.34 27.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.155 . . . . 0.0 109.235 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.475 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.3 m-30 -44.85 -57.86 3.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.05 -50.21 71.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -42.06 -65.15 0.49 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 110.367 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.574 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 38.0 mmtt -43.55 -59.06 2.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -52.1 -47.97 64.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.567 1.167 . . . . 0.0 111.055 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.508 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -59.86 -38.06 81.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -63.77 -43.97 94.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.56 -18.13 38.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.49 HG13 ' HB2' ' A' ' 26' ' ' ALA . 4.0 pt -123.38 14.35 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.394 1.059 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 21' ' ' ALA . 30.2 mmtt 42.05 60.93 2.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.611 1.195 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.508 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -107.21 122.23 46.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.249 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.3 28.35 2.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.25 170.04 25.17 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.12 116.94 4.71 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.3 m -110.96 163.93 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.369 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 86.4 m -103.74 143.14 33.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.368 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 25.8 mt -97.26 120.99 59.99 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.14 . . . . 0.0 109.249 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.451 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 18.2 Cg_endo -75.07 107.14 2.41 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.81 . . . . 0.0 110.993 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.734 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 20.5 m-85 -79.62 -35.76 1.0 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 111.051 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.734 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.2 Cg_endo -75.05 -69.14 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.431 1.753 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.451 ' HB2' ' HB2' ' A' ' 33' ' ' PRO . 45.2 mt -36.2 -54.23 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.424 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 2.6 m-85 -50.78 -50.24 56.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 35' ' ' PRO . 1.7 mm100 -55.67 -29.85 60.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.361 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.39 -27.79 31.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.951 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -130.1 69.76 1.44 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.459 1.099 . . . . 0.0 109.56 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.6 m -82.01 -9.48 11.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 0.0 109.328 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -84.84 -31.92 23.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.472 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 7.2 m-20 -103.13 -53.14 2.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.166 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.0 mt -95.39 121.07 36.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.445 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 22.9 p90 -170.97 155.13 4.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 111.019 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.701 HG21 ' CE1' ' A' ' 55' ' ' PHE . 13.5 t -96.75 153.39 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 11.8 mt-10 -140.57 174.71 10.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.14 1.27 87.74 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.448 1.093 . . . . 0.0 111.043 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 54' ' ' PRO . 56.2 mt -68.55 155.44 92.81 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.939 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.94 -165.19 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 111.078 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -93.15 137.37 32.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.425 ' O ' ' NH1' ' A' ' 65' ' ' ARG . . . 70.03 30.31 70.05 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.567 1.167 . . . . 0.0 111.007 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.939 HD12 ' HG2' ' A' ' 50' ' ' PRO . 6.6 mt -148.68 97.1 3.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.437 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.03 -159.75 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.445 1.761 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.701 ' CE1' HG21 ' A' ' 46' ' ' VAL . 16.8 t80 -111.65 85.02 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' ARG . 24.6 mmt180 -136.53 165.66 25.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.419 1.074 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' ARG . 43.2 mtt180 -37.56 125.37 0.92 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.428 1.08 . . . . 0.0 110.251 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.561 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.99 1.23 7.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.803 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.492 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 1.4 p -87.17 2.23 50.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.028 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.6 p -115.96 -39.16 3.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.435 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.567 ' HB2' HD21 ' A' ' 66' ' ' LEU . 11.6 m-85 -46.47 144.13 2.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 110.965 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.422 ' C ' ' HD2' ' A' ' 64' ' ' PRO . . . -68.2 164.63 47.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.649 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 13.6 mt -55.68 -43.75 99.32 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.463 0.743 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.98 -33.21 4.77 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.775 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.425 ' NH1' ' O ' ' A' ' 52' ' ' GLY . 0.2 OUTLIER -63.25 -44.75 94.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.356 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.567 HD21 ' HB2' ' A' ' 61' ' ' TYR . 89.2 mt -62.06 -54.34 42.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -39.11 -56.19 1.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.508 ' HD3' HD11 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -51.12 -54.3 26.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.522 HD11 ' CG2' ' A' ' 53' ' ' ILE . 85.6 mt -48.34 -35.42 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.364 1.04 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.695 HD12 HD22 ' A' ' 8' ' ' LEU . 77.6 mt -76.47 -31.51 57.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' ARG . 76.8 mt -78.06 -16.47 58.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -103.57 -4.42 23.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.61 1.194 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.518 ' HB2' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -45.9 -34.68 4.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -59.93 -33.96 72.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' ALA . 3.0 mtt180 -95.02 -35.81 11.81 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.473 1.108 . . . . 0.0 110.357 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.672 HD12 HD21 ' A' ' 15' ' ' LEU . 13.8 mt -37.79 141.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 6.4 ttt180 -161.04 145.25 13.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.339 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.574 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 5.4 m-85 -111.16 108.78 18.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.448 ' O ' HD13 ' A' ' 80' ' ' ILE . 18.9 t -88.09 133.22 31.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.448 HD13 ' O ' ' A' ' 79' ' ' VAL . 3.6 mm -123.71 70.6 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.472 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -55.13 -54.66 40.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.713 HD22 HD12 ' A' ' 70' ' ' LEU . 47.9 mt . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -39.03 -58.22 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 tttp -52.82 -47.71 67.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.707 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.4 mt-30 -53.47 -51.28 63.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.487 HG11 ' HB3' ' A' ' 58' ' ' PRO . 54.4 t -65.73 -46.26 89.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.409 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 29.2 mt-10 -49.95 -52.21 35.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.328 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -68.46 -38.59 81.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.266 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.953 HD21 HD12 ' A' ' 76' ' ' ILE . 1.2 tp -61.82 -55.54 28.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.472 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.4 m-30 -44.76 -60.83 1.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.409 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 2.5 mt-10 -56.22 -49.4 74.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.249 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -42.75 -62.17 1.07 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.534 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 47.7 mmtt -46.87 -60.75 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.316 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -50.07 -47.7 53.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.568 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -59.54 -39.88 85.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.088 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -62.02 -44.33 96.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.9 -19.53 43.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.502 HG13 ' HB2' ' A' ' 26' ' ' ALA . 4.0 pt -122.62 16.05 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 21' ' ' ALA . 21.0 mtmt 41.4 59.53 2.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 109.338 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.568 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -105.02 119.62 39.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.34 25.56 2.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.409 1.068 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.78 169.93 24.44 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.546 1.154 . . . . 0.0 111.034 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 117.35 4.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.783 . . . . 0.0 110.982 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.5 m -111.53 162.75 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.2 m -103.45 142.43 34.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.417 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.472 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 63.3 mt -98.21 118.73 63.18 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.605 1.191 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.444 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.4 Cg_endo -74.98 109.09 2.86 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.528 1.804 . . . . 0.0 111.006 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.753 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 14.5 m-85 -78.82 -34.42 0.98 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 111.065 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.753 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.0 Cg_endo -75.08 -70.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.464 1.77 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.457 ' C ' ' O ' ' A' ' 35' ' ' PRO . 89.3 mt -35.84 -54.39 0.74 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.444 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 3.6 m-85 -51.9 -48.42 64.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 35' ' ' PRO . 2.7 mm100 -57.39 -29.17 63.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.3 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.39 -25.28 29.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.948 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -131.42 70.88 1.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.561 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.2 m -84.54 -9.19 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -90.72 -4.87 56.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.539 1.15 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.465 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 53.1 m-20 -126.02 -59.38 1.34 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.893 HD21 ' O ' ' A' ' 82' ' ' LYS . 15.5 mt -98.68 120.69 39.55 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.811 ' OH ' HG11 ' A' ' 79' ' ' VAL . 39.4 p90 -166.05 155.94 12.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.739 HG21 ' CE1' ' A' ' 55' ' ' PHE . 23.0 t -99.35 137.04 28.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 4.5 mt-10 -126.86 -177.69 4.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.34 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.85 1.79 68.56 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.533 1.146 . . . . 0.0 110.946 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.2 mt -70.25 154.81 94.27 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 0.0 109.333 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.967 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.99 -174.93 2.11 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.458 1.767 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.38 139.29 32.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.602 1.189 . . . . 0.0 110.285 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.4 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 69.94 30.1 70.37 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.436 1.085 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.967 HD12 ' HG2' ' A' ' 50' ' ' PRO . 9.7 mt -150.15 96.72 3.46 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.785 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -162.49 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.449 1.762 . . . . 0.0 111.035 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.739 ' CE1' HG21 ' A' ' 46' ' ' VAL . 9.3 t80 -110.21 84.83 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' ARG . 10.8 mmt85 -134.98 165.82 24.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.318 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.8 OUTLIER -37.5 127.23 0.89 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.573 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.98 1.35 7.83 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 9' ' ' ARG . 80.3 p -94.4 8.34 42.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.942 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.41 ' O ' HG23 ' A' ' 60' ' ' THR . 0.6 OUTLIER -129.83 4.5 4.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.453 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.573 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 4.1 m-30 -90.01 153.06 20.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.1 163.04 54.49 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.637 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 23.8 mt -56.8 -44.22 99.68 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.482 0.754 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.02 -30.64 6.93 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.465 1.771 . . . . 0.0 111.025 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.657 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.3 OUTLIER -67.99 -39.52 83.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.459 HD21 ' HB2' ' A' ' 61' ' ' TYR . 66.9 mt -67.72 -47.58 68.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -45.58 -63.92 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.541 ' HD3' HD11 ' A' ' 53' ' ' ILE . 4.7 mtp180 -44.76 -52.74 8.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.551 HD11 ' CG2' ' A' ' 53' ' ' ILE . 95.6 mt -49.79 -32.95 8.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.713 HD12 HD22 ' A' ' 8' ' ' LEU . 68.0 mt -81.83 -29.75 32.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 68' ' ' ARG . 10.5 mt -85.06 -3.15 58.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.409 ' C ' HG13 ' A' ' 76' ' ' ILE . . . -113.97 -1.88 13.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.595 ' HB2' HD11 ' A' ' 15' ' ' LEU . 2.6 pttp -48.6 -41.4 30.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -56.18 -17.29 6.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.353 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 76' ' ' ILE . 18.8 mmt-85 -111.43 -37.46 5.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.953 HD12 HD21 ' A' ' 15' ' ' LEU . 7.2 mt -39.4 140.36 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.545 1.153 . . . . 0.0 109.208 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 1.3 ttt180 -157.61 146.32 19.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.342 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.534 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 7.2 m-85 -113.52 107.14 15.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.811 HG11 ' OH ' ' A' ' 45' ' ' TYR . 40.6 t -85.07 119.3 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.346 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.5 mm -112.06 74.6 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.465 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 8.7 mttt -61.48 -54.25 45.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.893 ' O ' HD21 ' A' ' 44' ' ' LEU . 7.3 mmtt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.625 HD22 HD12 ' A' ' 70' ' ' LEU . 66.7 mt . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.478 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 1.0 OUTLIER -39.46 -55.58 1.76 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.57 1.169 . . . . 0.0 110.345 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -53.62 -43.39 68.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.555 ' HB2' HD11 ' A' ' 70' ' ' LEU . 5.8 mt-30 -57.73 -50.24 73.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 110.321 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 53.0 t -67.36 -44.31 87.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.253 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.402 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 40.9 mt-10 -51.34 -54.43 26.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.58 1.175 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -65.43 -36.01 82.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 110.271 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.695 HD21 HD12 ' A' ' 76' ' ' ILE . 2.1 tp -64.47 -58.48 6.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.3 m-30 -40.96 -51.76 3.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 0.0 111.028 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 3.2 mt-10 -62.78 -51.14 68.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -40.84 -62.89 0.73 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.384 1.052 . . . . 0.0 110.285 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.573 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 43.3 mmtt -47.24 -60.79 2.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.229 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -50.26 -51.73 42.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.543 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -56.15 -40.25 73.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -64.48 -39.33 93.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.342 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.32 -15.54 57.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.5 pt -124.14 7.06 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 21' ' ' ALA . 21.0 mmtp 52.85 58.84 4.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.238 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.543 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -109.6 120.36 42.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.279 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -92.54 23.82 3.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -136.5 170.01 23.53 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.482 1.113 . . . . 0.0 110.982 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 118.1 5.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 110.969 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.5 m -111.96 161.36 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.8 m -103.18 138.85 39.44 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 110.459 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.2 mt -96.57 115.26 65.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.455 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 18.5 Cg_endo -74.91 117.83 5.06 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.481 1.779 . . . . 0.0 110.978 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.744 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 18.5 m-85 -77.51 -33.83 1.09 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.744 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -75.05 -68.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.54 1.811 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.455 ' HB2' ' HB2' ' A' ' 33' ' ' PRO . 27.0 mt -37.17 -44.52 0.57 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.234 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -70.52 -45.05 66.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 35' ' ' PRO . 1.9 tt0 -62.37 -37.34 85.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.264 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -27.79 63.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.025 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -130.48 69.9 1.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.55 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.3 m -80.8 -8.2 11.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -88.34 -15.31 36.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.459 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 2.5 m-20 -116.49 -58.31 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.846 HD21 ' O ' ' A' ' 82' ' ' LYS . 12.9 mt -95.34 114.04 25.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.575 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 16.2 p90 -159.39 151.89 21.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.65 HG21 ' CE1' ' A' ' 55' ' ' PHE . 4.4 t -94.3 143.24 12.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 4.4 mt-10 -128.55 178.19 6.48 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 0.0 110.269 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.35 1.43 69.98 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.523 1.14 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 54' ' ' PRO . 41.4 mt -68.33 153.25 95.83 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.943 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.98 -176.29 2.8 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.412 1.743 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.38 138.75 33.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 110.288 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.407 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 69.93 29.58 70.74 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.536 1.148 . . . . 0.0 110.965 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.943 HD12 ' HG2' ' A' ' 50' ' ' PRO . 7.6 mt -150.05 95.88 3.58 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.402 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.0 Cg_endo -75.04 -161.84 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.504 1.792 . . . . 0.0 111.004 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.65 ' CE1' HG21 ' A' ' 46' ' ' VAL . 13.1 t80 -108.27 87.59 2.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.438 ' N ' ' OH ' ' A' ' 61' ' ' TYR . 60.3 mmt-85 -139.22 165.67 26.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.252 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 56' ' ' ARG . 3.6 mtt180 -37.29 126.06 0.86 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 110.327 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.516 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.1 Cg_endo -75.08 0.65 8.69 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 0.0 110.918 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.478 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 24.7 p -94.8 3.11 55.4 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.523 1.14 . . . . 0.0 110.017 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.35 -11.26 10.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.432 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.672 ' HB2' HD21 ' A' ' 66' ' ' LEU . 7.0 m-85 -77.31 159.74 29.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.52 163.68 50.24 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.46 1.1 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.643 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 4.3 mt -57.2 -44.22 99.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 109.328 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.95 -33.18 4.84 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.484 1.781 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.59 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -65.25 -37.57 87.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.672 HD21 ' HB2' ' A' ' 61' ' ' TYR . 84.4 mt -69.32 -49.71 53.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -43.39 -59.19 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -48.31 -52.73 20.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.585 HD11 ' CG2' ' A' ' 53' ' ' ILE . 83.0 mt -49.41 -37.23 10.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.625 HD12 HD22 ' A' ' 8' ' ' LEU . 61.8 mt -73.73 -33.28 64.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 62.4 mt -77.7 -15.53 59.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -103.0 -4.48 24.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.46 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 1.1 pttt -47.6 -41.6 22.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -56.88 -22.11 34.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.338 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 72' ' ' ALA . 3.3 mtt-85 -106.31 -36.67 6.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.695 HD12 HD21 ' A' ' 15' ' ' LEU . 40.0 mt -39.06 145.12 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.576 1.173 . . . . 0.0 109.308 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -163.08 145.68 10.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.573 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 8.1 m-85 -110.83 108.65 18.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.405 1.066 . . . . 0.0 110.937 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.575 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 29.8 t -89.98 117.1 32.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.2 mm -105.35 68.27 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.17 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.459 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -47.44 -61.06 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.178 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.846 ' O ' HD21 ' A' ' 44' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.683 HD22 HD12 ' A' ' 70' ' ' LEU . 49.9 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.488 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -42.22 -55.08 3.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -56.47 -47.08 79.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.75 ' HB2' HD11 ' A' ' 70' ' ' LEU . 3.6 mt-30 -54.78 -51.29 66.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.471 HG11 ' HB3' ' A' ' 58' ' ' PRO . 54.9 t -66.2 -44.64 91.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -52.51 -55.0 25.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -65.53 -32.3 73.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 110.342 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.723 HD21 HD12 ' A' ' 76' ' ' ILE . 4.1 tp -68.41 -57.01 6.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.46 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.9 m-30 -42.86 -55.27 3.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -57.34 -53.31 59.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.327 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.5 -64.44 0.43 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.574 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 43.6 mmtt -45.79 -58.34 3.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -52.6 -57.88 8.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.614 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -51.11 -41.82 60.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -62.66 -39.78 95.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.81 -25.02 67.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.9 pt -113.11 7.69 7.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.604 1.19 . . . . 0.0 109.206 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 21' ' ' ALA . 6.5 mtmt 52.32 59.07 4.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.614 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -107.72 124.17 49.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.409 1.068 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -95.95 25.57 4.67 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -140.14 170.11 24.46 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.538 1.148 . . . . 0.0 111.022 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 117.41 4.9 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.534 1.807 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.1 m -112.85 163.82 9.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 92.6 m -103.84 144.24 31.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.38 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 47.6 mt -99.86 115.62 65.41 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.572 1.17 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.463 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 18.2 Cg_endo -74.98 116.79 4.7 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.582 1.832 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.742 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 22.0 m-85 -77.23 -33.86 1.13 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.742 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -74.96 -68.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.451 1.764 . . . . 0.0 111.056 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.463 ' HB2' ' HB2' ' A' ' 33' ' ' PRO . 67.5 mt -37.26 -45.06 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -69.87 -44.94 68.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.407 1.067 . . . . 0.0 111.041 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 35' ' ' PRO . 2.8 tt0 -62.63 -43.62 98.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.347 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.0 -32.69 73.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.965 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -124.88 71.33 1.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.572 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.5 m -81.96 -11.39 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.165 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -89.23 -3.51 58.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -123.48 -54.57 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.664 HD21 ' O ' ' A' ' 82' ' ' LYS . 8.6 mt -106.45 117.39 33.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.558 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 18.1 p90 -158.06 152.09 24.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.578 1.174 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.689 HG21 ' CE1' ' A' ' 55' ' ' PHE . 7.6 t -94.57 138.16 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 109.229 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.427 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 7.6 mt-10 -125.85 178.97 5.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.66 1.55 72.12 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.434 1.084 . . . . 0.0 110.965 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.1 mt -68.37 155.89 91.52 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.44 0.73 . . . . 0.0 109.37 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.959 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.02 -170.34 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.027 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -88.92 138.51 31.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.439 ' O ' ' NH1' ' A' ' 65' ' ' ARG . . . 69.45 30.39 71.25 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.479 1.112 . . . . 0.0 111.042 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.959 HD12 ' HG2' ' A' ' 50' ' ' PRO . 7.7 mt -149.05 96.7 3.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.751 . . . . 0.0 109.277 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -162.58 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.446 1.761 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.689 ' CE1' HG21 ' A' ' 46' ' ' VAL . 14.1 t80 -108.77 86.34 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.965 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.425 ' N ' ' OH ' ' A' ' 61' ' ' TYR . 12.2 mmt180 -136.55 165.49 25.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 110.252 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 56' ' ' ARG . 3.1 mtt180 -37.29 126.83 0.85 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.426 1.078 . . . . 0.0 110.285 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.516 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -74.96 1.24 7.93 Favored 'Trans proline' 0 C--N 1.361 1.236 0 O-C-N 124.45 1.763 . . . . 0.0 110.977 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.488 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 25.1 p -96.32 8.16 44.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -127.03 1.13 6.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.632 ' HB2' HD21 ' A' ' 66' ' ' LEU . 5.3 m-85 -89.04 156.56 18.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.63 163.52 54.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.112 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.644 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 3.4 mt -57.18 -44.18 99.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.03 -32.48 5.31 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.556 1.819 . . . . 0.0 110.96 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 52' ' ' GLY . 0.3 OUTLIER -64.72 -40.22 94.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.632 HD21 ' HB2' ' A' ' 61' ' ' TYR . 89.9 mt -67.95 -50.13 57.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -44.35 -61.4 1.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.349 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.527 ' HD3' HD11 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -46.05 -51.96 12.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.558 HD11 ' CG2' ' A' ' 53' ' ' ILE . 87.0 mt -50.58 -39.39 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.75 HD11 ' HB2' ' A' ' 11' ' ' GLN . 42.9 mt -72.05 -29.18 63.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.7 mt -81.78 -15.87 52.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -102.37 -4.57 25.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.454 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -46.38 -44.49 17.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -53.85 -23.34 12.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 0.0 110.229 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' ALA . 11.6 mmt180 -104.75 -37.85 6.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.11 . . . . 0.0 110.298 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.723 HD12 HD21 ' A' ' 15' ' ' LEU . 44.3 mt -38.59 144.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -162.72 146.31 11.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.316 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.574 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 7.7 m-85 -112.8 107.55 16.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.412 1.07 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.558 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 23.3 t -88.1 118.21 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.8 mm -106.74 78.77 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -61.26 2.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.664 ' O ' HD21 ' A' ' 44' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.621 HD22 HD12 ' A' ' 70' ' ' LEU . 24.0 mt . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -40.16 -52.81 2.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.19 -44.73 83.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.648 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.3 mt-30 -55.78 -50.19 71.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.324 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.488 HG11 ' HB3' ' A' ' 58' ' ' PRO . 50.2 t -68.82 -48.96 68.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -49.47 -48.64 47.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -71.35 -40.23 70.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.656 HD21 HD12 ' A' ' 76' ' ' ILE . 3.9 tp -60.63 -53.5 56.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.48 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.2 m-30 -44.7 -59.08 2.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -53.34 -49.75 66.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.276 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -42.94 -63.87 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.492 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 58.6 mmtt -44.03 -62.76 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -50.25 -43.39 53.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.067 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.494 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -63.0 -38.56 91.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -62.96 -46.08 89.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.05 -19.54 19.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.512 HG13 ' HB2' ' A' ' 26' ' ' ALA . 4.7 pt -122.4 17.74 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 24' ' ' ILE . 3.2 mmtt 39.12 60.88 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.512 ' HB2' HG13 ' A' ' 24' ' ' ILE . . . -107.98 126.85 53.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -95.84 10.97 35.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.357 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -124.05 169.79 16.19 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 111.058 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 117.27 4.85 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.438 1.757 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.486 HG11 HD11 ' A' ' 24' ' ' ILE . 12.7 m -109.05 164.99 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 0.0 109.319 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.8 m -103.35 145.98 29.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.48 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 42.9 mt -102.75 118.82 57.51 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.465 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.0 Cg_endo -75.04 108.13 2.64 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.466 1.772 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.721 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 11.2 m-85 -79.66 -36.8 1.09 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.721 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.1 Cg_endo -74.92 -69.49 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.537 1.809 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 35' ' ' PRO . 44.1 mt -35.79 -52.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.465 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 2.4 m-85 -51.67 -51.26 57.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -49.8 -41.03 43.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 t -72.7 -29.26 63.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.954 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 37' ' ' PHE . 26.3 m-70 -126.91 71.61 1.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.591 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.8 m -85.23 -13.66 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -83.2 -23.28 32.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.467 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 0.4 OUTLIER -112.84 -54.29 2.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.513 HD21 ' O ' ' A' ' 82' ' ' LYS . 92.1 mt -94.21 112.44 24.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.568 ' OH ' HG11 ' A' ' 79' ' ' VAL . 51.6 p90 -167.05 157.76 11.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.57 HG21 ' CE1' ' A' ' 55' ' ' PHE . 37.8 t -101.63 152.6 5.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 2.0 mt-10 -138.51 -178.9 5.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 110.249 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.63 1.64 66.87 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.471 1.107 . . . . 0.0 110.937 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.1 mt -69.65 155.1 94.11 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.56 0.8 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.954 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.95 -173.72 1.67 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.489 1.784 . . . . 0.0 111.074 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -85.72 138.66 31.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.413 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 70.01 29.23 70.85 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.954 HD12 ' HG2' ' A' ' 50' ' ' PRO . 6.4 mt -150.18 95.22 3.62 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.433 0.726 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -162.73 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.459 1.768 . . . . 0.0 111.015 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.57 ' CE1' HG21 ' A' ' 46' ' ' VAL . 12.6 t80 -107.42 79.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' ARG . 24.1 mmt180 -130.38 165.88 21.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 110.332 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.449 ' O ' HG22 ' A' ' 60' ' ' THR . 2.0 mtt180 -37.62 125.86 0.93 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.32 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.584 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.05 2.16 6.96 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.554 1.818 . . . . 0.0 110.954 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 98.2 p -94.73 8.59 42.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.064 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.449 HG22 ' O ' ' A' ' 57' ' ' ARG . 2.2 t -127.96 2.44 5.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.415 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.584 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 7.3 m-85 -90.97 153.79 19.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.78 163.83 54.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.651 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 2.1 mp -57.36 -43.67 99.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.562 0.801 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.97 -33.08 4.9 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.464 1.771 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.674 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -63.71 -39.44 94.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 110.266 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 76.9 mt -68.22 -49.64 59.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.245 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -44.02 -62.24 1.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.419 1.075 . . . . 0.0 110.279 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.448 ' HA ' HD12 ' A' ' 71' ' ' LEU . 9.0 mtt-85 -45.19 -53.02 8.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.238 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.66 HD11 ' CG2' ' A' ' 53' ' ' ILE . 89.9 mt -49.91 -39.28 15.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.648 HD11 ' HB2' ' A' ' 11' ' ' GLN . 65.0 mt -71.52 -33.05 68.84 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 68' ' ' ARG . 12.4 mt -79.31 -15.43 57.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -101.51 -5.19 25.52 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.411 1.07 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.496 ' HB2' HD11 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -45.67 -50.34 13.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -49.59 -22.45 1.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.246 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 72' ' ' ALA . 22.4 mmt180 -104.43 -38.81 6.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.656 HD12 HD21 ' A' ' 15' ' ' LEU . 41.9 mt -39.44 145.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.427 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 2.5 ttt180 -161.35 145.04 12.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.492 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 4.4 m-85 -110.51 108.45 18.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.568 HG11 ' OH ' ' A' ' 45' ' ' TYR . 21.5 t -87.98 105.94 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 7.9 mm -98.35 61.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.176 . . . . 0.0 109.255 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.467 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 1.6 mttp -44.49 -56.74 4.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.513 ' O ' HD21 ' A' ' 44' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.788 HD22 HD12 ' A' ' 70' ' ' LEU . 83.5 mt . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -37.96 -56.79 1.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.37 -48.93 73.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.352 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.609 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.9 mt-30 -52.66 -47.86 66.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.347 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.504 HG11 ' HB3' ' A' ' 58' ' ' PRO . 54.6 t -69.6 -46.11 76.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.408 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 36.8 mt-10 -50.77 -52.78 37.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 110.269 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.97 -34.39 77.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.894 HD21 HD12 ' A' ' 76' ' ' ILE . 1.1 tp -66.27 -56.91 8.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -43.22 -55.99 3.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.408 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 3.0 mt-10 -59.66 -49.4 77.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.8 mmt-85 -43.86 -61.0 1.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.209 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.568 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 38.7 mmtt -48.36 -59.13 3.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -51.97 -53.76 37.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.599 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -53.96 -39.57 66.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -65.82 -38.45 88.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.4 -12.82 46.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.2 pt -126.11 3.69 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER 56.33 58.91 3.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.599 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -108.57 120.93 43.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -93.4 28.85 2.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.355 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -143.37 170.08 25.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 117.81 5.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.0 m -112.41 162.47 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.379 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 99.9 m -103.58 143.86 32.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.399 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 51.9 mt -99.22 118.22 62.84 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.456 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 18.1 Cg_endo -75.03 115.83 4.4 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.52 1.8 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.747 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 24.9 m-85 -77.49 -33.77 1.09 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.747 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.4 Cg_endo -75.02 -68.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.456 ' HB2' ' HB2' ' A' ' 33' ' ' PRO . 77.5 mt -37.15 -45.53 0.63 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.574 1.171 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.469 ' O ' HG13 ' A' ' 41' ' ' VAL . 9.5 m-85 -70.33 -44.0 69.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.419 1.075 . . . . 0.0 111.039 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 35' ' ' PRO . 20.1 tp60 -57.55 -50.15 74.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.3 -22.59 61.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.003 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 40.1 m80 -126.57 72.07 1.32 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.666 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 37' ' ' PHE . 4.6 m -91.64 -6.78 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -85.0 -29.03 25.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.253 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.408 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 16.4 m-20 -107.39 -50.69 3.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.5 mt -94.83 117.06 29.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.496 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 12.0 p90 -165.16 150.47 9.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 110.955 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.671 HG21 ' CE1' ' A' ' 55' ' ' PHE . 6.1 t -93.84 151.06 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -135.21 178.93 6.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.377 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.74 2.37 69.81 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.2 mt -71.33 153.99 93.82 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.453 0.737 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.936 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.95 -177.4 3.43 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -82.32 139.24 34.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.41 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 70.08 29.3 70.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.561 1.163 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.936 HD12 ' HG2' ' A' ' 50' ' ' PRO . 7.9 mt -150.48 95.18 3.56 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 109.34 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.82 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.671 ' CE1' HG21 ' A' ' 46' ' ' VAL . 13.6 t80 -107.17 87.29 2.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.438 ' N ' ' OH ' ' A' ' 61' ' ' TYR . 26.0 mmt180 -138.31 166.01 25.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.2 OUTLIER -36.55 126.76 0.73 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.514 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.05 0.69 8.62 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.789 . . . . 0.0 110.948 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 t -97.23 8.38 44.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.991 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 60' ' ' THR . 0.5 OUTLIER -125.75 3.91 7.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.407 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.672 ' HB2' HD21 ' A' ' 66' ' ' LEU . 6.9 m-85 -93.23 159.28 15.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.9 163.71 52.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.42 1.075 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.649 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.9 mp -57.6 -43.89 99.15 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.55 0.794 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.04 -33.5 4.5 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.496 1.787 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.605 ' HD3' HG23 ' A' ' 53' ' ' ILE . 1.1 mtt180 -63.73 -40.33 96.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.672 HD21 ' HB2' ' A' ' 61' ' ' TYR . 80.9 mt -66.28 -53.27 38.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.408 ' HG2' HD21 ' A' ' 8' ' ' LEU . 1.2 mt-10 -40.2 -59.87 1.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.342 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.464 ' HD3' HD11 ' A' ' 53' ' ' ILE . 0.6 OUTLIER -47.85 -52.77 17.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.49 ' O ' HD11 ' A' ' 76' ' ' ILE . 94.2 mt -48.86 -35.0 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.788 HD12 HD22 ' A' ' 8' ' ' LEU . 75.6 mt -78.43 -30.45 47.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 68' ' ' ARG . 71.6 mt -78.48 -19.27 53.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . -99.5 -0.85 39.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.489 ' HB2' HD11 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -49.29 -39.57 31.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -59.67 -14.73 15.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 110.263 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 76' ' ' ILE . 0.4 OUTLIER -115.12 -36.31 4.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.22 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.894 HD12 HD21 ' A' ' 15' ' ' LEU . 16.1 mt -39.0 142.84 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 12.3 ttt180 -162.62 144.34 10.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.248 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.568 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 5.8 m-85 -110.22 106.42 15.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.608 ' O ' HD13 ' A' ' 80' ' ' ILE . 25.5 t -83.84 140.19 16.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.608 HD13 ' O ' ' A' ' 79' ' ' VAL . 3.5 mm -128.31 74.58 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.439 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -58.12 -51.25 70.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 mttt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.706 HD22 HD12 ' A' ' 70' ' ' LEU . 64.4 mt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.49 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -43.93 -54.22 5.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.297 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -45.55 81.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.229 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.527 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.0 mt-30 -55.37 -52.1 64.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 50.2 t -66.4 -45.05 90.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.4 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 40.5 mt-10 -49.84 -52.15 34.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.29 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.33 -40.6 81.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.296 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.769 HD21 HD12 ' A' ' 76' ' ' ILE . 1.1 tp -59.86 -56.54 20.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.466 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.0 m-30 -42.37 -57.12 2.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 111.047 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.4 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 2.9 mt-10 -58.58 -51.14 71.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.44 -61.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.533 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 29.8 mmtt -48.26 -54.52 13.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -55.75 -51.27 67.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.957 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -57.82 -42.66 84.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.382 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -60.81 -40.05 91.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.173 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.56 -37.72 82.18 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.416 HD11 HG11 ' A' ' 30' ' ' VAL . 7.2 pt -99.55 7.76 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.368 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 21' ' ' ALA . 4.0 mmtt 51.52 60.18 4.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.427 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -111.3 126.49 54.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.44 27.57 3.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -141.32 170.0 24.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.561 1.163 . . . . 0.0 111.071 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 117.24 4.85 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 111.075 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.419 HG22 ' HB2' ' A' ' 21' ' ' ALA . 7.9 m -110.11 163.66 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.167 . . . . 0.0 109.356 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 92.4 m -103.33 144.08 31.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.423 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.466 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 48.5 mt -97.1 115.62 65.78 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.442 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.3 Cg_endo -74.97 113.06 3.71 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.479 1.778 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.759 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 22.4 m-85 -77.73 -33.3 1.0 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 111.051 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.759 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.2 Cg_endo -74.94 -69.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.533 1.807 . . . . 0.0 111.031 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 35' ' ' PRO . 55.7 mt -36.77 -49.48 0.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.38 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.442 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 6.4 m-85 -61.2 -47.24 87.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.587 1.179 . . . . 0.0 110.951 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 35' ' ' PRO . 1.9 mm-40 -60.35 -32.08 70.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.236 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.67 -36.02 62.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -124.17 66.77 1.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.6 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.4 m -76.15 -8.49 11.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -86.92 -23.13 25.26 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.586 1.179 . . . . 0.0 110.2 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.481 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 18.8 m-20 -113.14 -56.37 2.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.238 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.515 HD21 ' O ' ' A' ' 82' ' ' LYS . 40.1 mt -90.85 112.57 24.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.253 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.691 ' OH ' HG11 ' A' ' 79' ' ' VAL . 46.0 p90 -164.19 162.53 22.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.614 HG21 ' CE1' ' A' ' 55' ' ' PHE . 6.4 t -103.46 147.44 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 7.7 mt-10 -134.39 -179.68 5.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.69 1.94 68.18 Favored Glycine 0 CA--C 1.528 0.895 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.484 HD13 ' O ' ' A' ' 54' ' ' PRO . 50.2 mt -68.98 153.56 95.97 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.439 0.729 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.906 ' HG2' HD12 ' A' ' 53' ' ' ILE . 17.9 Cg_endo -75.08 178.49 7.21 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.466 1.771 . . . . 0.0 110.913 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.21 138.0 38.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.4 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 70.13 30.05 70.03 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.554 1.159 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.906 HD12 ' HG2' ' A' ' 50' ' ' PRO . 11.2 mt -150.43 96.43 3.43 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.484 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.03 -162.12 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.457 1.767 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.614 ' CE1' HG21 ' A' ' 46' ' ' VAL . 8.7 t80 -109.54 86.96 2.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 57' ' ' ARG . 21.4 mmt85 -137.75 165.9 25.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.3 OUTLIER -36.0 126.18 0.67 Allowed Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.554 1.159 . . . . 0.0 110.31 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.492 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.04 1.42 7.78 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.558 1.82 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.49 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 27.4 p -96.91 6.1 49.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.042 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -123.0 -3.56 8.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.676 ' HB2' HD21 ' A' ' 66' ' ' LEU . 5.6 m-85 -84.71 157.16 21.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.45 163.76 53.03 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.65 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 13.3 mt -57.64 -43.84 99.09 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.533 0.784 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.02 -32.13 5.61 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.459 1.768 . . . . 0.0 110.968 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.56 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.9 OUTLIER -65.31 -42.92 92.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.339 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.676 HD21 ' HB2' ' A' ' 61' ' ' TYR . 92.4 mt -64.17 -52.03 60.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.02 -58.8 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.466 ' HD3' HD11 ' A' ' 53' ' ' ILE . 5.0 mtp180 -49.88 -51.16 42.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.492 ' O ' HD11 ' A' ' 76' ' ' ILE . 87.4 mt -50.89 -32.22 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.706 HD12 HD22 ' A' ' 8' ' ' LEU . 84.4 mt -80.87 -29.69 35.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 68.7 mt -80.99 -20.77 41.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . -97.32 -2.71 41.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.468 ' HB2' HD11 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -47.17 -43.99 21.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -54.89 -21.08 10.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 110.328 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 72' ' ' ALA . 6.4 mtt-85 -107.09 -37.23 6.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.769 HD12 HD21 ' A' ' 15' ' ' LEU . 19.9 mt -38.9 142.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.097 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 10.3 ttt180 -162.52 145.26 11.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.551 1.157 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.533 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 7.7 m-85 -109.65 107.33 17.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.691 HG11 ' OH ' ' A' ' 45' ' ' TYR . 35.7 t -85.21 110.03 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.2 mm -100.55 60.19 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.481 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 3.0 mtmt -44.59 -57.13 3.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.515 ' O ' HD21 ' A' ' 44' ' ' LEU . 7.6 mttm . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.754 HD22 HD12 ' A' ' 70' ' ' LEU . 32.2 mt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.478 ' HD3' ' CB ' ' A' ' 59' ' ' SER . 3.5 ttm180 -37.35 -56.81 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.479 ' CD ' ' HG3' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -54.14 -62.0 1.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.504 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.5 mt-30 -38.52 -41.1 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.33 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.455 HG11 ' HB3' ' A' ' 58' ' ' PRO . 55.3 t -76.7 -44.95 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 10' ' ' LYS . 44.6 mt-10 -53.15 -48.83 67.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.276 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' GLU . . . . . 0.479 ' HG3' ' CD ' ' A' ' 10' ' ' LYS . 4.9 mm-40 -68.14 -40.54 82.42 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.554 1.159 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.644 HD21 HD12 ' A' ' 76' ' ' ILE . 2.3 tp -61.88 -51.86 66.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.477 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.6 m-30 -46.28 -54.48 8.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 3.0 mt-10 -59.44 -49.11 79.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.584 1.178 . . . . 0.0 110.308 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -42.3 -63.91 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.565 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 40.4 mmtt -43.85 -61.81 1.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -51.96 -53.59 39.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -52.98 -38.71 62.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -67.87 -38.8 83.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.93 -16.46 61.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 109.253 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.8 pt -121.71 2.48 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 21' ' ' ALA . 4.0 mmmt 55.67 63.11 2.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.259 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -114.33 124.37 51.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -94.75 27.07 3.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -141.03 170.11 24.69 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 117.01 4.76 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.432 1.753 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.3 m -111.18 165.76 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.5 m -103.57 141.7 35.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.477 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 24.0 mt -97.76 123.71 50.79 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.448 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 18.4 Cg_endo -75.01 105.74 2.14 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.524 1.802 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.708 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 11.3 m-85 -80.5 -37.26 1.0 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 111.038 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.708 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.6 Cg_endo -74.96 -68.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.435 1.755 . . . . 0.0 111.032 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.448 ' HB2' ' HB2' ' A' ' 33' ' ' PRO . 35.4 mt -36.49 -53.81 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 2.0 m-85 -50.57 -49.82 55.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -53.87 -36.9 63.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.381 179.895 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.36 -26.88 52.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.044 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -128.16 66.54 1.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.587 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.4 m -81.05 -9.52 11.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -85.96 -20.34 29.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.459 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 0.6 OUTLIER -116.06 -50.58 2.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.071 . . . . 0.0 109.278 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.402 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 75.2 mt -96.49 119.4 34.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.46 ' CE2' ' HG3' ' A' ' 81' ' ' LYS . 14.2 p90 -169.75 151.91 4.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.724 HG21 ' CE1' ' A' ' 55' ' ' PHE . 27.1 t -96.42 151.24 4.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 13.4 mt-10 -136.71 175.5 9.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.49 1.81 83.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.497 HD13 ' O ' ' A' ' 54' ' ' PRO . 53.0 mt -70.41 152.58 95.46 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.545 0.791 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.941 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.0 Cg_endo -75.14 171.52 18.15 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.454 1.765 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -71.77 141.42 49.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.409 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 68.05 29.24 73.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.941 HD12 ' HG2' ' A' ' 50' ' ' PRO . 9.4 mt -150.69 97.35 3.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.412 0.713 . . . . 0.0 109.319 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.497 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.99 -162.25 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.572 1.828 . . . . 0.0 110.982 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.724 ' CE1' HG21 ' A' ' 46' ' ' VAL . 9.3 t80 -109.59 78.63 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' ARG . 17.7 mmt85 -129.63 165.33 22.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.207 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.473 ' HB3' HG23 ' A' ' 60' ' ' THR . 4.0 mtt180 -37.57 126.64 0.91 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 110.262 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.576 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.02 2.34 6.74 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.517 1.798 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.478 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 1.8 p -92.8 2.3 56.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.992 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.473 HG23 ' HB3' ' A' ' 57' ' ' ARG . 1.7 p -119.97 -9.04 9.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.429 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.576 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 6.9 m-30 -78.69 153.57 30.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.39 164.07 54.85 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.558 1.162 . . . . 0.0 111.025 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.65 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.4 mp -56.98 -43.73 99.52 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.464 0.744 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.99 -33.2 4.78 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.49 1.784 . . . . 0.0 110.97 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.563 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.4 OUTLIER -63.8 -40.72 97.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.307 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 75.5 mt -66.37 -51.4 57.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.624 1.202 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -42.29 -59.15 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.376 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 72' ' ' ALA . 4.8 mtp180 -48.42 -52.9 19.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 110.287 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.531 HG23 HD11 ' A' ' 76' ' ' ILE . 89.4 mt -49.52 -39.62 14.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.754 HD12 HD22 ' A' ' 8' ' ' LEU . 83.6 mt -72.88 -27.47 61.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 68' ' ' ARG . 61.0 mt -81.89 -25.07 35.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -94.14 -3.42 51.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.4 1.063 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.475 ' HB2' HD11 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -46.45 -39.07 10.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -57.93 -28.17 64.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.378 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 72' ' ' ALA . 4.6 mtt180 -99.99 -37.19 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.644 HD12 HD21 ' A' ' 15' ' ' LEU . 29.3 mt -38.82 143.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 12.4 ttt180 -161.09 145.23 13.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.565 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 4.9 m-85 -109.83 107.81 17.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.51 ' O ' HD13 ' A' ' 80' ' ' ILE . 19.7 t -88.11 133.03 31.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.51 HD13 ' O ' ' A' ' 79' ' ' VAL . 3.0 mm -125.23 72.9 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.46 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -55.73 -49.46 73.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.399 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.451 HD22 HD12 ' A' ' 70' ' ' LEU . 81.8 mt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.465 ' HD3' ' CB ' ' A' ' 59' ' ' SER . 1.1 ttm180 -41.22 -46.68 3.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.595 1.185 . . . . 0.0 110.398 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -63.96 -47.64 79.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.916 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.6 mt-30 -52.25 -43.38 64.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.501 HG11 ' HB3' ' A' ' 58' ' ' PRO . 48.8 t -75.38 -45.83 39.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.406 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 33.6 mt-10 -51.44 -45.88 62.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.26 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -70.71 -34.73 72.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.381 1.051 . . . . 0.0 110.276 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.823 HD21 HD12 ' A' ' 76' ' ' ILE . 1.1 tp -68.94 -60.08 2.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.477 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.7 m-30 -39.04 -52.57 1.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.406 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 5.5 mt-10 -63.35 -49.16 74.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.583 1.177 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.3 mtt180 -44.18 -62.63 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.564 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 36.6 mmtt -46.47 -58.53 3.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.261 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -52.8 -51.84 59.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 110.97 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -57.38 -42.92 83.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -60.14 -42.62 95.26 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.428 1.08 . . . . 0.0 110.348 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.21 -35.81 74.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.237 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.457 HD11 HG11 ' A' ' 30' ' ' VAL . 7.5 pt -103.49 13.4 7.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' ALA . 1.4 mmpt? 44.59 62.74 1.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.414 ' HB2' HG13 ' A' ' 24' ' ' ILE . . . -114.76 122.4 46.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.88 28.55 2.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.91 170.5 24.25 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 116.67 4.66 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.446 1.761 . . . . 0.0 110.99 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.457 HG11 HD11 ' A' ' 24' ' ' ILE . 5.3 m -110.81 163.37 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.2 m -103.37 141.81 35.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.477 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 64.9 mt -99.22 117.2 64.44 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.454 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 18.1 Cg_endo -75.02 111.26 3.28 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.563 1.823 . . . . 0.0 111.041 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.731 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 12.3 m-85 -79.6 -36.39 1.06 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.731 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -75.04 -70.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.404 1.739 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 35' ' ' PRO . 33.6 mt -35.47 -51.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.252 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.58 ' CE1' ' HB3' ' A' ' 44' ' ' LEU . 2.7 m-85 -52.92 -51.3 61.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -49.49 -40.31 36.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.58 -30.08 65.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.97 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' PHE . 24.4 m-70 -128.13 71.8 1.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.61 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.3 m -81.3 -9.67 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -93.35 -11.96 31.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 1.076 . . . . 0.0 110.326 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.422 ' HA ' ' HB2' ' A' ' 81' ' ' LYS . 14.3 m-20 -118.93 -50.16 2.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.58 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 49.6 mt -108.37 112.34 24.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.153 . . . . 0.0 109.349 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -167.74 157.21 10.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.744 HG21 ' CE1' ' A' ' 55' ' ' PHE . 27.7 t -98.64 145.0 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.425 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 3.9 mt-10 -132.25 179.66 5.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.174 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.05 1.8 69.73 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.5 1.125 . . . . 0.0 111.083 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.572 HD13 ' O ' ' A' ' 54' ' ' PRO . 50.5 mt -67.16 153.13 95.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.444 0.732 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.92 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -75.0 -179.99 5.53 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.574 1.829 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.26 139.78 37.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.209 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.422 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 69.32 28.87 72.16 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.538 1.149 . . . . 0.0 111.045 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.92 HD12 ' HG2' ' A' ' 50' ' ' PRO . 7.4 mt -150.72 97.3 3.28 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.446 0.733 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.572 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.98 -161.39 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.744 ' CE1' HG21 ' A' ' 46' ' ' VAL . 9.4 t80 -109.34 79.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 57' ' ' ARG . 4.6 mmt-85 -129.9 165.2 22.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 110.354 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 56' ' ' ARG . 10.1 mtm180 -36.71 131.04 0.69 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.262 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.501 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.02 1.42 7.77 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.465 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -97.57 6.86 47.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.963 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.2 p -120.84 -6.3 9.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.429 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 9.6 m-85 -86.5 153.74 21.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.064 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.401 ' C ' ' HD2' ' A' ' 64' ' ' PRO . . . -74.7 164.53 54.61 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.647 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 4.9 mt -56.68 -43.87 99.53 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.53 0.782 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.6 Cg_endo -74.99 -33.44 4.59 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -64.58 -40.39 95.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 110.224 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 75.1 mt -66.23 -53.1 41.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.34 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -39.78 -57.41 1.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.437 1.085 . . . . 0.0 110.284 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.407 ' O ' ' N ' ' A' ' 71' ' ' LEU . 7.5 mtt-85 -50.97 -51.35 53.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.56 HD11 ' CG2' ' A' ' 53' ' ' ILE . 92.3 mt -50.73 -31.3 9.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.916 HD11 ' HB2' ' A' ' 11' ' ' GLN . 38.5 mt -81.98 -29.27 32.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 68' ' ' ARG . 75.1 mt -80.4 -15.88 55.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -103.19 -3.49 25.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.433 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -45.7 -40.18 8.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.236 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -55.96 -30.65 62.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.25 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 72' ' ' ALA . 1.0 OUTLIER -97.32 -36.63 10.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.263 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.823 HD12 HD21 ' A' ' 15' ' ' LEU . 17.3 mt -38.81 144.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 3.8 ttt85 -162.38 145.66 11.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.396 1.06 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.564 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 3.8 m-85 -112.82 111.5 22.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.94 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.47 HG12 ' HD2' ' A' ' 81' ' ' LYS . 18.3 t -92.54 109.75 21.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.458 ' HA ' HD23 ' A' ' 44' ' ' LEU . 7.0 mm -104.18 54.63 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.586 1.179 . . . . 0.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.47 ' HD2' HG12 ' A' ' 79' ' ' VAL . 5.7 mttp -39.63 -59.22 1.16 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.543 ' O ' HD21 ' A' ' 44' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.711 HD22 HD12 ' A' ' 70' ' ' LEU . 62.7 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.492 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 1.9 ttm180 -39.15 -55.71 1.59 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.125 . . . . 0.0 110.339 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -54.59 -44.45 73.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.449 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.3 mt-30 -56.75 -48.86 76.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.502 HG11 ' HB3' ' A' ' 58' ' ' PRO . 55.5 t -69.06 -48.95 66.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -46.81 -47.96 20.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.438 1.086 . . . . 0.0 110.363 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -70.9 -40.45 72.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.735 HD21 HD12 ' A' ' 76' ' ' ILE . 1.8 tp -61.1 -59.6 5.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -38.61 -54.48 1.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -61.01 -50.38 73.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.18 -62.26 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.353 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 38.4 mmtt -49.23 -56.89 7.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -52.26 -54.3 33.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 111.038 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.644 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -54.69 -41.74 70.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -62.29 -39.32 92.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.39 -19.03 63.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.7 pt -121.04 8.54 6.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 21' ' ' ALA . 5.3 mmtt 52.04 59.31 4.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.644 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -108.69 119.8 40.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.69 29.51 2.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.169 . . . . 0.0 109.244 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.48 170.41 25.11 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 116.74 4.67 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.531 1.806 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.3 m -112.58 165.65 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.349 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.54 162.29 13.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.358 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.8 mt -121.45 115.11 31.34 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.355 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.46 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 18.5 Cg_endo -74.95 116.72 4.67 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.798 . . . . 0.0 111.036 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.751 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 17.7 m-85 -76.62 -33.03 1.11 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.751 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.6 Cg_endo -74.97 -67.16 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.46 ' HB2' ' HB2' ' A' ' 33' ' ' PRO . 81.8 mt -39.02 -45.96 1.29 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -70.82 -40.16 72.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 35' ' ' PRO . 0.6 OUTLIER -65.96 -39.27 90.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.155 . . . . 0.0 110.313 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.96 -27.99 60.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.039 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -125.18 70.54 1.17 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.56 1.162 . . . . 0.0 109.584 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.9 m -83.94 -6.18 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -89.74 -22.13 22.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.407 1.067 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.438 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 2.5 m-20 -111.78 -52.53 2.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.604 1.19 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 62.6 mt -98.67 114.55 27.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.576 1.173 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.501 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 11.6 p90 -161.9 149.84 14.8 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.563 1.165 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.594 HG21 ' CE1' ' A' ' 55' ' ' PHE . 5.2 t -94.25 147.96 5.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -132.38 179.57 6.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 110.31 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.87 1.69 68.33 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 54' ' ' PRO . 62.9 mt -69.32 152.94 96.33 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.604 0.826 . . . . 0.0 109.363 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.942 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.99 175.22 11.52 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.549 1.815 . . . . 0.0 111.028 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.63 140.07 42.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.418 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 69.54 29.2 71.61 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.942 HD12 ' HG2' ' A' ' 50' ' ' PRO . 8.0 mt -150.91 96.25 3.34 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.402 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.94 -160.11 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.494 1.786 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.594 ' CE1' HG21 ' A' ' 46' ' ' VAL . 16.5 t80 -110.98 88.57 2.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.484 ' N ' ' OH ' ' A' ' 61' ' ' TYR . 24.8 mmt-85 -139.11 165.83 26.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.219 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' ARG . 2.8 mtt180 -37.04 125.69 0.81 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.34 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.502 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -75.0 1.37 7.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.538 1.81 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.492 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 9.3 p -93.39 8.01 42.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.001 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.3 p -119.86 -34.78 3.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.074 . . . . 0.0 110.4 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.597 ' HB2' HD21 ' A' ' 66' ' ' LEU . 11.4 m-85 -53.56 158.39 1.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLY . . . . . 0.412 ' C ' ' HD2' ' A' ' 64' ' ' PRO . . . -79.58 164.7 49.22 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.461 1.101 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.656 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 2.3 mp -56.97 -43.44 99.4 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.437 0.728 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.656 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.0 -35.62 3.03 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.512 1.796 . . . . 0.0 111.047 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.602 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -64.15 -39.72 94.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.597 HD21 ' HB2' ' A' ' 61' ' ' TYR . 71.2 mt -65.22 -54.28 31.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -38.79 -57.81 1.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 110.256 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 72' ' ' ALA . 4.1 mtp180 -49.53 -52.22 31.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.233 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.568 HD11 ' CG2' ' A' ' 53' ' ' ILE . 86.6 mt -51.09 -30.86 10.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.711 HD12 HD22 ' A' ' 8' ' ' LEU . 82.5 mt -82.22 -31.4 30.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.9 mt -78.01 -23.89 48.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -95.4 -3.7 46.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.511 ' HB2' HD11 ' A' ' 15' ' ' LEU . 2.0 ptmt -43.27 -42.86 4.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.397 1.061 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -52.56 -36.97 56.89 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.482 ' N ' ' O ' ' A' ' 72' ' ' ALA . 2.3 mtm-85 -90.32 -38.8 13.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.735 HD12 HD21 ' A' ' 15' ' ' LEU . 12.8 mt -37.18 141.84 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 1.9 ttp180 -161.76 144.23 11.76 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 6.4 m-85 -109.48 110.32 21.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.501 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 31.7 t -88.91 136.8 22.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.494 HD13 ' O ' ' A' ' 79' ' ' VAL . 3.6 mm -125.04 77.12 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.438 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -60.03 -43.18 95.5 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.844 HD22 HD12 ' A' ' 70' ' ' LEU . 47.3 mt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.495 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 3.2 ttm180 -43.71 -50.19 7.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -60.94 -47.58 85.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.242 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.595 ' HB2' HD11 ' A' ' 70' ' ' LEU . 3.1 mt-30 -52.84 -41.09 63.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 48.7 t -74.71 -47.07 39.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.402 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 59.2 mt-10 -53.0 -49.76 65.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.336 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -67.87 -37.39 81.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.832 HD21 HD12 ' A' ' 76' ' ' ILE . 0.8 OUTLIER -62.89 -53.49 53.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.435 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 3.4 m-30 -44.44 -58.4 2.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 2.0 mp0 -57.17 -47.51 81.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.41 -62.94 1.14 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.53 1.144 . . . . 0.0 110.238 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.516 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 41.0 mmtt -45.28 -55.82 5.5 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.444 1.09 . . . . 0.0 109.406 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -54.65 -54.54 40.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -52.04 -40.77 61.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -63.65 -38.43 91.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.3 -29.87 70.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.6 pt -107.99 6.02 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 21' ' ' ALA . 29.2 mmtt 53.18 60.85 3.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.428 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -112.65 124.47 52.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.593 1.183 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -94.53 28.48 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.388 1.055 . . . . 0.0 109.309 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.1 170.31 25.01 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 117.71 5.0 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 110.966 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.0 m -112.68 164.32 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.6 m -103.51 140.94 36.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 110.393 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.435 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 43.5 mt -93.95 123.06 60.53 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.459 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.5 Cg_endo -74.99 104.23 1.87 Allowed 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.515 1.797 . . . . 0.0 111.089 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.744 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 3.9 m-30 -75.63 -34.84 1.63 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.55 1.156 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.744 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -74.97 -65.58 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.463 1.77 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.9 mt -40.09 -47.81 2.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.575 ' O ' HG13 ' A' ' 41' ' ' VAL . 3.6 m-85 -58.13 -49.43 77.01 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.57 -43.45 72.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.07 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.32 -33.48 65.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.996 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -123.89 67.97 1.04 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.597 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 37' ' ' PHE . 10.1 m -81.38 -8.61 11.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -94.14 -10.23 33.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.259 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -113.01 -44.06 3.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.698 HD21 ' O ' ' A' ' 82' ' ' LYS . 8.2 mt -116.39 122.24 44.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.65 ' OH ' HG11 ' A' ' 79' ' ' VAL . 31.1 p90 -162.3 153.96 18.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 111.03 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.722 HG21 ' CE1' ' A' ' 55' ' ' PHE . 21.3 t -97.21 133.56 38.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.427 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 3.5 mt-10 -120.55 -179.55 4.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.338 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.46 2.02 67.06 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.553 1.158 . . . . 0.0 111.048 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.4 HD13 ' O ' ' A' ' 54' ' ' PRO . 35.2 mt -68.66 152.55 96.63 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.75 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.913 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.08 -177.44 3.48 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.401 1.737 . . . . 0.0 110.986 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -82.52 138.13 34.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.242 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.409 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 70.2 29.87 70.04 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.413 1.071 . . . . 0.0 110.925 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.913 HD12 ' HG2' ' A' ' 50' ' ' PRO . 8.2 mt -150.29 95.33 3.58 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.4 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.04 -161.96 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.472 1.775 . . . . 0.0 110.997 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.722 ' CE1' HG21 ' A' ' 46' ' ' VAL . 18.4 t80 -109.49 88.34 2.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.47 ' O ' ' C ' ' A' ' 57' ' ' ARG . 17.0 mmt85 -140.21 166.36 24.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.47 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.6 OUTLIER -33.61 120.14 0.48 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.351 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.566 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.96 1.28 7.89 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.454 1.766 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.495 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 1.2 p -96.97 4.5 51.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.006 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.32 -6.02 9.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.431 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.746 ' HB2' HD21 ' A' ' 66' ' ' LEU . 4.9 m-85 -78.65 160.92 27.28 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.461 1.1 . . . . 0.0 111.072 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.0 163.23 52.21 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.648 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 41.2 mt -58.09 -43.87 98.79 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.749 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.01 -33.2 4.75 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.469 1.773 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.487 ' HD3' HG23 ' A' ' 53' ' ' ILE . 2.4 mtt180 -62.83 -42.28 99.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.746 HD21 ' HB2' ' A' ' 61' ' ' TYR . 94.1 mt -65.41 -55.07 20.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -38.02 -55.65 1.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 71' ' ' LEU . 6.3 mtp180 -53.14 -54.14 40.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 110.302 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.474 HD11 ' CG2' ' A' ' 53' ' ' ILE . 93.1 mt -47.35 -34.08 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.844 HD12 HD22 ' A' ' 8' ' ' LEU . 71.3 mt -77.68 -35.48 52.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.418 1.073 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 68' ' ' ARG . 82.2 mt -74.21 -21.22 59.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -97.55 -5.06 36.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.228 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.502 ' HB2' HD11 ' A' ' 15' ' ' LEU . 1.3 ptmt -43.53 -48.9 7.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -48.81 -33.1 9.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 72' ' ' ALA . 1.8 mtm180 -93.15 -38.22 11.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.577 1.173 . . . . 0.0 110.315 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.832 HD12 HD21 ' A' ' 15' ' ' LEU . 14.7 mt -38.62 141.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.442 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 8.4 ttt180 -163.5 144.0 8.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.516 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 7.2 m-85 -108.2 111.7 23.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 111.035 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.65 HG11 ' OH ' ' A' ' 45' ' ' TYR . 24.4 t -91.56 108.69 20.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ILE . . . . . 0.458 HG23 HD22 ' A' ' 44' ' ' LEU . 7.0 mm -101.34 82.49 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -60.89 3.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.698 ' O ' HD21 ' A' ' 44' ' ' LEU . 4.2 mmtt . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' LEU . . . . . 0.563 ' CD2' HD12 ' A' ' 70' ' ' LEU . 19.5 mt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . 0.476 ' HD3' ' CB ' ' A' ' 59' ' ' SER . 1.1 ttm180 -41.2 -44.94 2.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.302 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.9 tptp -64.72 -44.23 90.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.382 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLN . . . . . 0.562 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.7 mt-30 -56.61 -44.82 81.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 110.275 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.447 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 46.6 t -74.75 -42.34 47.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' GLU . . . . . 0.42 ' CG ' ' HG2' ' A' ' 58' ' ' PRO . 59.6 mt-10 -55.98 -49.01 74.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -69.61 -40.53 76.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.181 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.756 HD21 HD12 ' A' ' 76' ' ' ILE . 7.1 tp -60.06 -50.2 74.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.483 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.5 m-30 -48.24 -63.1 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . 0.4 ' N ' HD11 ' A' ' 32' ' ' ILE . 2.4 mt-10 -49.74 -49.0 49.75 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.556 1.16 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.08 -66.68 0.35 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . 0.47 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 35.7 mmtt -41.88 -60.56 1.35 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -49.96 -49.43 50.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.474 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -59.36 -40.44 86.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -60.51 -44.27 96.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.97 -31.04 66.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ILE . . . . . 0.494 HG13 ' HB2' ' A' ' 26' ' ' ALA . 3.9 pt -110.03 16.11 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.31 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' ALA . 6.2 mtmt 40.7 60.67 1.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ALA . . . . . 0.494 ' HB2' HG13 ' A' ' 24' ' ' ILE . . . -106.6 121.72 44.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -93.83 29.65 2.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -143.25 170.05 25.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.581 1.176 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 116.82 4.71 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 0.0 111.024 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.5 m -112.14 164.41 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 98.2 m -103.34 144.55 31.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.397 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.483 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 21.4 mt -98.31 120.43 59.55 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.454 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.3 Cg_endo -74.97 107.3 2.45 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.522 1.801 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' TYR . . . . . 0.715 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 11.8 m-85 -80.02 -37.08 1.06 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PRO . . . . . 0.715 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.5 Cg_endo -75.01 -69.45 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.528 1.804 . . . . 0.0 111.011 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 35' ' ' PRO . 34.3 mt -35.59 -51.9 0.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.244 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' A' ' 44' ' ' LEU . 2.1 m-85 -52.04 -51.31 58.31 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 35' ' ' PRO . 6.1 mm-40 -54.01 -37.45 64.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.26 -32.66 63.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.02 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -127.13 67.69 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.611 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 37' ' ' PHE . 11.9 m -79.81 -11.28 12.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -85.3 -13.8 48.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.33 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . 0.462 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 8.5 m-20 -116.45 -59.64 1.95 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.229 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LEU . . . . . 0.906 HD21 ' O ' ' A' ' 82' ' ' LYS . 10.9 mt -93.85 123.59 37.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' TYR . . . . . 0.859 ' OH ' HG11 ' A' ' 79' ' ' VAL . 43.0 p90 -169.76 157.04 6.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' VAL . . . . . 0.871 HG21 ' CE1' ' A' ' 55' ' ' PHE . 55.5 t -102.22 138.53 26.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 8.4 mt-10 -127.49 -178.04 4.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.347 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.92 1.6 68.3 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.4 HD13 ' O ' ' A' ' 54' ' ' PRO . 65.5 mt -68.14 156.36 90.05 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.941 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.0 Cg_endo -75.04 -169.29 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 110.97 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -89.19 137.38 32.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.264 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' GLY . . . . . 0.4 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 69.55 31.84 71.03 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.425 1.078 . . . . 0.0 110.913 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ILE . . . . . 0.941 HD12 ' HG2' ' A' ' 50' ' ' PRO . 11.1 mt -150.42 97.09 3.36 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.455 0.738 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PRO . . . . . 0.4 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.98 -163.36 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.475 1.776 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PHE . . . . . 0.871 ' CE1' HG21 ' A' ' 46' ' ' VAL . 13.5 t80 -109.24 80.41 1.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.098 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 57' ' ' ARG . 29.2 mmt-85 -130.22 165.43 22.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.502 ' O ' HG22 ' A' ' 60' ' ' THR . 5.7 mtt180 -38.72 124.84 1.18 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PRO . . . . . 0.602 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.02 3.67 5.43 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.53 1.805 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' SER . . . . . 0.476 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 5.1 p -94.38 8.51 41.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' THR . . . . . 0.502 HG22 ' O ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -132.9 7.31 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.415 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' TYR . . . . . 0.602 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 3.1 m-30 -91.18 156.84 17.56 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.17 163.16 54.89 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.491 1.12 . . . . 0.0 111.049 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ILE . . . . . 0.64 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 5.1 mt -57.46 -44.24 99.46 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.525 0.78 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.5 Cg_endo -74.88 -33.74 4.52 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.502 1.79 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ARG . . . . . 0.686 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.4 OUTLIER -62.49 -38.78 91.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.247 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 82.1 mt -70.14 -48.95 55.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -48.06 -62.4 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.319 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' ARG . . . . . 0.642 ' HD3' HD11 ' A' ' 53' ' ' ILE . 0.0 OUTLIER -42.66 -56.03 3.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.259 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.731 HG23 HD11 ' A' ' 76' ' ' ILE . 77.8 mt -46.26 -46.75 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.349 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' LEU . . . . . 0.563 HD12 ' CD2' ' A' ' 8' ' ' LEU . 85.5 mt -61.83 -34.43 75.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' ARG . 28.7 mt -80.24 -15.48 56.89 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 72' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -100.96 -8.57 22.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LYS . . . . . 0.559 ' HB2' HD11 ' A' ' 15' ' ' LEU . 2.0 ptmt -42.37 -51.59 4.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.232 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -45.53 -32.72 2.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 110.325 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 72' ' ' ALA . 6.6 mtt180 -93.72 -39.09 10.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.756 HD12 HD21 ' A' ' 15' ' ' LEU . 25.3 mt -38.65 143.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 1.4 ttt-85 -160.82 145.53 14.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' PHE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 5.3 m-85 -112.28 113.84 26.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' VAL . . . . . 0.859 HG11 ' OH ' ' A' ' 45' ' ' TYR . 21.2 t -94.34 103.47 14.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 0.0 109.378 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.0 mm -95.11 63.54 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LYS . . . . . 0.462 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 6.0 mttt -46.0 -60.77 2.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.239 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' LYS . . . . . 0.906 ' O ' HD21 ' A' ' 44' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.451 1.095 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 p -114.59 126.19 54.63 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.571 0.806 . . . . 0.0 110.033 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.7 p -140.55 163.35 33.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 110.015 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.93 -57.89 0.68 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.513 1.133 . . . . 0.0 111.049 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.1 t -66.65 101.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 109.976 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 59.66 109.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.093 . . . . 0.0 110.012 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.09 142.87 11.5 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 111.075 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.526 HD22 HD12 ' A' ' 70' ' ' LEU . 24.6 mt -40.46 -66.56 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 0.735 . . . . 0.0 109.315 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.48 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 2.3 ttm180 -40.61 -57.64 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.342 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.16 -45.1 68.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.636 ' HB2' HD11 ' A' ' 70' ' ' LEU . 3.9 mt-30 -55.45 -48.1 75.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.457 HG21 HD22 ' A' ' 66' ' ' LEU . 51.2 t -70.69 -46.14 70.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.415 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 31.9 mt-10 -49.61 -48.41 49.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.451 1.095 . . . . 0.0 110.28 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -70.1 -34.63 73.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.87 HD21 HD12 ' A' ' 76' ' ' ILE . 3.5 tp -66.88 -58.63 4.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.348 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.451 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.6 m-30 -42.17 -57.04 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.415 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 4.2 mt-10 -60.15 -46.55 89.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -47.25 -63.46 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.519 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 33.8 mmtt -47.77 -54.14 13.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -54.55 -49.69 69.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 110.997 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.549 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -57.02 -39.53 74.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -61.25 -44.42 97.27 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.453 1.096 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.51 -19.37 36.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.527 HG13 ' HB2' ' A' ' 26' ' ' ALA . 4.4 pt -123.14 16.52 5.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 21' ' ' ALA . 4.3 mttm 41.36 58.57 2.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.549 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -106.03 121.05 43.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.58 1.175 . . . . 0.0 109.28 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.83 19.42 8.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -131.13 170.22 21.43 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.563 1.165 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 117.24 4.85 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.449 1.763 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.9 m -111.45 159.99 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.266 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.9 m -103.75 140.27 37.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.376 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 57.2 mt -97.83 114.22 64.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 114.11 3.95 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.719 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 12.0 m-85 -72.08 -36.18 3.96 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.608 1.193 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.719 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.2 Cg_endo -75.03 -63.42 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.525 1.802 . . . . 0.0 110.962 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 34.3 mt -40.48 -38.67 0.88 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.443 ' O ' HG13 ' A' ' 41' ' ' VAL . 8.5 m-85 -79.78 -39.77 30.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 35' ' ' PRO . 1.8 tt0 -65.46 -45.28 84.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.04 -27.78 64.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.056 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -128.21 72.2 1.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.675 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 37' ' ' PHE . 6.8 m -85.64 -9.53 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -89.59 -1.12 57.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.45 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 18.8 m-20 -129.18 -53.48 1.19 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.866 HD21 ' O ' ' A' ' 82' ' ' LYS . 12.5 mt -104.95 112.27 25.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.26 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.558 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 19.2 p90 -155.47 152.98 29.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.732 HG21 ' CE1' ' A' ' 55' ' ' PHE . 5.6 t -96.05 141.42 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.238 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 14.8 mt-10 -128.29 177.9 6.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.26 1.51 75.29 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 49.5 mt -68.94 154.79 94.6 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.557 0.798 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.957 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.94 -173.45 1.57 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.426 1.75 . . . . 0.0 111.041 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -86.46 139.65 30.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 110.334 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.413 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 69.95 29.29 70.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.957 HD12 ' HG2' ' A' ' 50' ' ' PRO . 7.6 mt -150.27 95.67 3.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -160.71 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.777 . . . . 0.0 110.939 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.732 ' CE1' HG21 ' A' ' 46' ' ' VAL . 18.9 t80 -109.66 91.52 3.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.444 ' N ' ' OH ' ' A' ' 61' ' ' TYR . 82.6 mmt-85 -143.53 165.78 26.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.282 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -37.89 125.51 0.99 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 110.254 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.553 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.99 1.56 7.6 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.472 1.775 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.48 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 84.0 p -88.73 8.52 28.38 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.509 1.131 . . . . 0.0 110.047 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.6 p -121.67 -40.38 2.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.434 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.553 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 13.4 m-85 -45.81 150.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.407 ' C ' ' HD2' ' A' ' 64' ' ' PRO . . . -74.06 164.1 54.67 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.647 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.4 mp -56.19 -44.0 99.51 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.549 0.794 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.95 -31.85 5.96 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.479 1.778 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -39.05 91.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.253 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.457 HD22 HG21 ' A' ' 12' ' ' VAL . 56.8 mt -66.32 -54.15 28.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -39.63 -54.93 1.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.266 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.484 ' HD3' HD11 ' A' ' 53' ' ' ILE . 5.2 mtp180 -52.75 -52.97 54.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.569 HD11 ' CG2' ' A' ' 53' ' ' ILE . 86.9 mt -49.88 -34.84 9.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.636 HD11 ' HB2' ' A' ' 11' ' ' GLN . 69.7 mt -77.46 -28.25 52.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 68' ' ' ARG . 66.5 mt -80.49 -16.68 53.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -103.84 -3.37 24.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.438 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -45.82 -40.22 9.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -56.47 -31.0 63.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 72' ' ' ALA . 2.1 mmm180 -96.83 -36.8 10.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.87 HD12 HD21 ' A' ' 15' ' ' LEU . 17.5 mt -38.68 142.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -161.63 148.33 14.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.327 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.519 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 8.5 m-85 -114.31 113.27 24.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.558 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 36.8 t -95.52 115.72 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.414 HD13 ' C ' ' A' ' 79' ' ' VAL . 10.7 mm -105.03 73.38 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.495 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -53.88 -60.31 3.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.371 1.044 . . . . 0.0 109.262 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.866 ' O ' HD21 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -99.64 120.28 39.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.403 ' CD2' HG21 ' A' ' 80' ' ' ILE . 1.8 m170 -88.46 -53.67 4.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.674 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -49.34 -41.54 39.11 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.684 HD12 ' HB2' ' A' ' 82' ' ' LYS . 14.4 mt -44.85 -34.83 2.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 109.37 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.546 HD21 HD13 ' A' ' 44' ' ' LEU . 75.2 mt -70.14 -67.19 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -43.54 159.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.406 ' O ' ' HB ' ' A' ' 89' ' ' THR . 0.2 OUTLIER 64.81 113.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.027 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 88' ' ' SER . 0.6 OUTLIER 178.75 -36.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.418 1.074 . . . . 0.0 110.416 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.41 -38.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.272 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 61.23 154.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 65.03 125.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.578 1.173 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.09 -66.88 0.89 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.87 116.4 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.983 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 165.3 -160.44 33.78 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 178.42 7.3 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.534 1.807 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 99.8 p -116.08 123.17 47.24 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.448 1.092 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.4 79.3 1.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.95 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.455 1.097 . . . . 0.0 110.948 179.918 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.1 p -146.59 141.54 27.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 0.792 . . . . 0.0 109.966 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.29 110.81 4.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.71 -88.27 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.445 1.09 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.4 159.55 0.69 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 0.773 . . . . 0.0 109.95 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.63 111.0 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.039 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.57 76.06 1.13 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.625 HD22 HD12 ' A' ' 70' ' ' LEU . 32.1 mt -51.88 -53.72 37.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 0.747 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.477 ' HD3' ' CB ' ' A' ' 59' ' ' SER . 1.1 ttm180 -47.2 -54.02 11.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.267 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -55.34 -41.93 73.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.632 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.6 mt-30 -59.1 -50.6 73.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.34 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.484 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 52.7 t -68.18 -42.36 84.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -51.26 -53.1 38.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -67.71 -40.13 84.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.273 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.706 HD21 HD12 ' A' ' 76' ' ' ILE . 2.1 tp -60.92 -58.08 9.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.621 1.201 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.485 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 1.9 m-30 -40.58 -57.5 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -55.21 -50.58 69.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.145 . . . . 0.0 110.33 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.66 -68.28 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.564 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 53.3 mmtt -40.51 -60.99 0.99 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.485 ' OH ' HD22 ' A' ' 86' ' ' LEU . 43.8 t80 -51.81 -49.64 62.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.072 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -58.88 -39.53 81.71 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -65.59 -40.8 93.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.39 -17.86 60.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.417 HG13 ' HB2' ' A' ' 26' ' ' ALA . 4.6 pt -122.62 10.54 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 21' ' ' ALA . 2.2 mtmp? 46.35 62.57 2.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -112.59 122.72 48.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.247 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.46 24.32 4.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -136.21 170.22 23.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 116.87 4.72 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.395 1.734 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.9 m -111.17 165.12 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 95.6 m -103.37 145.54 29.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 110.383 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.485 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 38.3 mt -101.98 119.79 55.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.364 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.482 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.2 Cg_endo -74.98 107.83 2.58 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.446 1.761 . . . . 0.0 111.008 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.706 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 6.9 m-85 -80.45 -37.76 1.05 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 110.942 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.706 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.5 Cg_endo -74.95 -68.68 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.424 1.749 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.453 ' HB2' ' HB2' ' A' ' 33' ' ' PRO . 41.5 mt -36.04 -51.24 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.367 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 2.0 m-85 -52.26 -50.77 61.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 35' ' ' PRO . 3.3 mm-40 -50.69 -37.26 40.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.23 -28.52 57.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.966 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.57 ' NE2' HD22 ' A' ' 85' ' ' LEU . 37.8 m-70 -129.37 68.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.602 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.2 m -81.51 -11.91 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -79.14 -36.62 40.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.477 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 0.5 OUTLIER -102.7 -55.43 2.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.4 mt -90.42 111.56 22.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.357 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.858 ' OH ' HG11 ' A' ' 79' ' ' VAL . 47.8 p90 -166.41 162.99 17.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 110.99 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.693 HG21 ' CE1' ' A' ' 55' ' ' PHE . 24.7 t -105.84 150.21 8.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 10.1 mt-10 -137.82 179.56 6.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.26 1.81 70.92 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.425 HD13 ' O ' ' A' ' 54' ' ' PRO . 73.1 mt -70.18 153.79 95.01 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 109.238 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.92 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.1 Cg_endo -75.01 178.58 7.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.527 1.804 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.03 138.66 38.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.405 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 70.14 29.59 70.36 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.92 HD12 ' HG2' ' A' ' 50' ' ' PRO . 10.5 mt -150.68 95.92 3.42 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.448 0.734 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.425 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.95 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.514 1.797 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.693 ' CE1' HG21 ' A' ' 46' ' ' VAL . 10.7 t80 -109.32 85.42 2.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 57' ' ' ARG . 76.5 mmt-85 -135.71 165.52 25.38 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.539 1.15 . . . . 0.0 110.308 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' ARG . 1.0 OUTLIER -36.94 127.71 0.76 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.413 1.07 . . . . 0.0 110.289 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.484 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.98 0.69 8.6 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.524 1.802 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.477 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -96.33 9.0 42.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 60' ' ' THR . 0.5 OUTLIER -128.47 4.71 5.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.39 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.637 ' HB2' HD21 ' A' ' 66' ' ' LEU . 4.9 m-85 -93.54 156.78 16.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.58 163.5 53.7 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.533 1.145 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.638 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 7.4 mt -57.0 -44.44 99.79 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.437 0.728 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.0 -32.82 5.05 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.525 1.803 . . . . 0.0 111.04 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.408 ' HD3' HG23 ' A' ' 53' ' ' ILE . 1.5 mtt180 -65.01 -39.5 93.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.27 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.637 HD21 ' HB2' ' A' ' 61' ' ' TYR . 85.3 mt -68.18 -50.94 51.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.244 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.454 ' HG2' HD21 ' A' ' 8' ' ' LEU . 0.8 OUTLIER -42.1 -60.52 1.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 72' ' ' ALA . 4.5 mtp180 -47.07 -53.04 13.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.549 ' O ' HD11 ' A' ' 76' ' ' ILE . 87.7 mt -48.93 -33.61 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.632 HD11 ' HB2' ' A' ' 11' ' ' GLN . 76.7 mt -80.59 -32.05 36.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 68' ' ' ARG . 36.1 mt -78.96 -14.86 58.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -105.6 -2.88 22.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.554 ' HB2' HD11 ' A' ' 15' ' ' LEU . 1.7 ptmt -44.08 -46.67 8.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -50.42 -32.48 17.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 72' ' ' ALA . 3.2 mtm180 -94.27 -39.18 10.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.071 . . . . 0.0 110.342 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.706 HD12 HD21 ' A' ' 15' ' ' LEU . 17.9 mt -37.98 143.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -161.09 146.2 14.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.285 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.564 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 3.0 m-85 -112.0 107.5 16.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.926 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.858 HG11 ' OH ' ' A' ' 45' ' ' TYR . 41.4 t -85.15 117.5 30.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.9 mm -112.26 65.95 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.373 1.046 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.477 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 5.0 mttt -54.05 -53.1 57.68 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.966 ' CB ' HD12 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -105.25 116.86 32.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.354 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.7 m80 -87.35 -54.07 4.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.575 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.443 ' CG ' ' N ' ' A' ' 85' ' ' LEU . 10.7 pt-20 -44.67 -45.13 9.53 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.551 1.157 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.966 HD12 ' CB ' ' A' ' 82' ' ' LYS . 26.9 mt -44.37 -27.43 0.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.485 HD22 ' OH ' ' A' ' 20' ' ' TYR . 64.1 mt -70.88 -58.92 3.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 50.56 93.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.333 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 87.9 p -162.53 92.19 0.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.045 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.617 ' O ' HG23 ' A' ' 89' ' ' THR . 10.0 t -115.61 61.71 0.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 60.49 93.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -174.87 90.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.26 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -54.87 124.08 15.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.204 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.22 114.15 9.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.6 116.22 6.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.098 . . . . 0.0 109.918 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 169.69 153.69 8.72 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.507 1.13 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 170.97 19.25 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 110.983 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.6 m -132.47 115.54 15.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.012 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.4 t -119.57 148.91 42.76 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.543 1.152 . . . . 0.0 109.963 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 111.037 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.42 165.58 26.43 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.557 0.798 . . . . 0.0 109.998 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.4 m -150.17 81.72 1.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 110.019 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.87 159.41 7.96 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 m -78.22 136.74 37.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 0.782 . . . . 0.0 109.921 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.95 -61.06 1.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.96 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.83 135.55 1.92 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.494 1.122 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.578 HD22 HD12 ' A' ' 70' ' ' LEU . 30.6 mt -42.5 -68.01 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.401 0.706 . . . . 0.0 109.245 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.446 ' HD3' ' CB ' ' A' ' 59' ' ' SER . 0.7 OUTLIER -38.0 -56.06 1.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 110.214 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -55.41 -48.34 74.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.257 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.596 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.5 mt-30 -53.16 -55.86 20.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.5 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 54.0 t -62.41 -43.07 97.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -49.66 -56.99 8.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.247 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.64 -36.58 81.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.808 HD21 HD12 ' A' ' 76' ' ' ILE . 1.7 tp -64.94 -63.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.404 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 3.1 m-30 -38.22 -56.5 1.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.62 -45.47 92.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.406 1.066 . . . . 0.0 110.244 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.9 mtt-85 -48.44 -62.45 1.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 110.347 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.513 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 27.2 mmtt -47.08 -55.97 7.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.496 ' OH ' HD22 ' A' ' 86' ' ' LEU . 57.4 t80 -53.74 -49.33 68.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.712 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -58.04 -40.82 81.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -59.2 -44.03 92.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 110.342 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.03 -26.45 62.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.236 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.631 HG22 ' NE2' ' A' ' 83' ' ' HIS . 4.1 pt -114.9 16.03 7.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 21' ' ' ALA . 4.7 mttp 42.74 57.16 3.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.712 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -101.4 125.22 48.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -98.32 27.37 4.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.9 170.69 25.16 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 116.79 4.69 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.564 1.823 . . . . 0.0 111.016 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.7 m -111.34 162.53 8.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.233 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 94.1 m -104.1 143.66 32.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.404 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.404 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 66.0 mt -100.3 113.03 65.25 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.349 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.431 ' CB ' HD12 ' A' ' 36' ' ' LEU . 18.4 Cg_endo -74.95 114.35 4.01 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.725 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 17.5 m-85 -73.21 -35.84 2.94 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.725 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.4 Cg_endo -74.86 -58.7 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.51 1.794 . . . . 0.0 111.067 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.431 HD12 ' CB ' ' A' ' 33' ' ' PRO . 26.9 mt -45.51 -40.28 8.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.514 ' O ' HG13 ' A' ' 41' ' ' VAL . 8.9 m-85 -78.11 -31.01 49.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.418 ' HB3' ' HA ' ' A' ' 35' ' ' PRO . 41.4 tp60 -69.85 -49.35 53.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.143 . . . . 0.0 110.251 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.63 -29.87 68.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.409 1.068 . . . . 0.0 110.052 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -123.32 76.2 1.37 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.071 . . . . 0.0 109.554 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.514 HG13 ' O ' ' A' ' 37' ' ' PHE . 3.5 m -90.59 -14.48 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -84.27 -5.88 59.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.62 -58.43 1.59 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.623 HD21 ' O ' ' A' ' 82' ' ' LYS . 27.0 mt -98.88 117.33 33.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.406 1.066 . . . . 0.0 109.363 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.845 ' OH ' HG11 ' A' ' 79' ' ' VAL . 40.4 p90 -160.64 155.88 24.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.773 HG21 ' CE1' ' A' ' 55' ' ' PHE . 15.4 t -100.82 142.89 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 9.1 mt-10 -131.38 -179.96 5.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.316 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.8 1.83 68.44 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.2 mt -70.46 152.95 95.35 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.555 0.797 . . . . 0.0 109.35 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.911 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.02 177.16 8.96 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.556 1.819 . . . . 0.0 111.017 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.0 141.21 40.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.411 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 68.44 29.27 72.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.911 HD12 ' HG2' ' A' ' 50' ' ' PRO . 8.7 mt -150.7 96.41 3.37 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.574 0.808 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.04 -162.85 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.486 1.782 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.773 ' CE1' HG21 ' A' ' 46' ' ' VAL . 9.1 t80 -107.54 84.06 1.9 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.436 ' N ' ' OH ' ' A' ' 61' ' ' TYR . 0.8 OUTLIER -134.56 165.14 25.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' ARG . 6.2 mtt180 -37.92 133.42 0.88 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.5 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.97 1.92 7.19 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.472 1.775 . . . . 0.0 111.038 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.446 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -97.23 8.37 44.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.987 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 19.0 p -125.7 5.36 7.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 110.382 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.436 ' OH ' ' N ' ' A' ' 56' ' ' ARG . 8.6 m-85 -99.13 148.5 24.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.05 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.404 ' C ' ' HD2' ' A' ' 64' ' ' PRO . . . -68.34 164.14 48.1 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.113 . . . . 0.0 111.072 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.644 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 29.4 mt -55.58 -44.19 99.53 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.532 0.784 . . . . 0.0 109.307 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.98 -33.12 4.85 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.48 1.779 . . . . 0.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.412 ' HD3' HG23 ' A' ' 53' ' ' ILE . 3.1 mtt180 -61.82 -43.63 98.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' A' ' 61' ' ' TYR . 87.0 mt -64.64 -52.97 54.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -40.41 -60.09 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.456 ' HD3' HD11 ' A' ' 53' ' ' ILE . 4.5 mtp180 -48.36 -52.3 22.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.267 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.536 ' O ' HD11 ' A' ' 76' ' ' ILE . 95.5 mt -49.71 -34.31 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.596 HD11 ' HB2' ' A' ' 11' ' ' GLN . 81.2 mt -78.23 -33.87 49.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 32.1 mt -76.34 -22.61 54.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . -95.45 -3.34 47.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.252 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.444 ' HB2' HD11 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -47.34 -44.0 23.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -54.26 -18.92 4.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 72' ' ' ALA . 20.0 mmt180 -109.61 -37.41 5.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.328 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.808 HD12 HD21 ' A' ' 15' ' ' LEU . 20.8 mt -39.12 143.9 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -161.69 147.74 13.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.337 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.513 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 8.2 m-85 -115.3 105.71 13.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.127 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.845 HG11 ' OH ' ' A' ' 45' ' ' TYR . 21.8 t -84.23 126.12 40.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.441 HG23 HD22 ' A' ' 44' ' ' LEU . 4.6 mm -118.05 87.85 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -55.99 8.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.824 ' CB ' HD12 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -107.19 114.05 27.86 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.504 1.128 . . . . 0.0 109.368 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.631 ' NE2' HG22 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -81.42 -53.56 6.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.653 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 85' ' ' LEU . 11.2 pt-20 -44.18 -44.32 7.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.824 HD12 ' CB ' ' A' ' 82' ' ' LYS . 36.8 mt -44.0 -30.01 0.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.233 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.523 HD21 HD13 ' A' ' 44' ' ' LEU . 66.1 mt -76.77 -62.88 1.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.421 1.076 . . . . 0.0 109.253 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 65.32 109.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.41 79.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.026 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.3 p -79.3 -37.56 37.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 0.0 110.371 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -143.36 128.62 18.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.23 146.66 37.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.595 1.185 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -143.38 133.61 24.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -155.87 102.12 2.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.95 149.59 44.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 117.53 112.38 2.61 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -50.38 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.407 1.741 . . . . 0.0 110.946 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 37.9 m 50.92 99.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.043 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.8 p -150.64 136.53 18.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.02 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.952 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 p -76.32 131.56 39.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 109.938 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.8 m -62.65 162.68 10.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.074 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.57 -90.15 2.14 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 p 59.83 166.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 0.733 . . . . 0.0 110.001 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.1 t -81.35 133.82 35.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.455 1.097 . . . . 0.0 109.998 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.16 154.1 24.78 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.709 HD22 HD12 ' A' ' 70' ' ' LEU . 52.9 mt -42.43 -57.73 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.769 . . . . 0.0 109.232 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.482 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 2.2 ttm180 -45.57 -57.85 3.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -52.05 -44.05 64.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -56.38 -49.67 73.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 110.298 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 51.1 t -68.51 -45.06 82.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -50.45 -51.91 42.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -68.74 -40.19 79.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.584 HD21 HD12 ' A' ' 76' ' ' ILE . 1.2 tp -60.27 -56.94 15.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.465 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 1.8 m-30 -41.24 -56.96 2.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 111.031 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -57.09 -49.96 74.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -42.17 -63.43 0.75 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.468 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 46.0 mmtt -45.87 -57.89 3.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.414 ' OH ' HD13 ' A' ' 86' ' ' LEU . 50.8 t80 -52.76 -46.83 67.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.404 1.065 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.527 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -60.52 -39.04 86.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.362 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -62.47 -44.03 97.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.345 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.51 -18.12 37.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.503 HG13 ' HB2' ' A' ' 26' ' ' ALA . 3.5 pt -123.14 15.05 5.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.373 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 21' ' ' ALA . 5.1 mttt 42.83 58.87 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.527 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -107.79 125.16 51.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -96.39 13.29 28.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -124.77 170.47 16.79 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.485 1.116 . . . . 0.0 111.028 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 117.17 4.81 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.386 1.73 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.4 m -110.96 163.18 7.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.573 1.171 . . . . 0.0 109.274 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 65.6 m -103.45 141.99 35.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.481 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 67.1 mt -96.95 119.79 62.81 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.385 1.053 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.435 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.4 Cg_endo -75.02 106.74 2.33 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.504 1.791 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.717 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 7.9 m-85 -76.59 -37.21 1.87 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.581 1.176 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.717 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.4 Cg_endo -75.02 -65.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.789 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.469 HD13 ' O ' ' A' ' 86' ' ' LEU . 10.2 mt -38.05 -48.47 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.554 ' O ' HG13 ' A' ' 41' ' ' VAL . 3.5 m-85 -59.97 -47.33 86.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 111.029 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 35' ' ' PRO . 1.7 mm-40 -54.28 -38.31 65.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.35 -16.89 35.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.041 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 18.0 m80 -130.02 63.19 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.596 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.554 HG13 ' O ' ' A' ' 37' ' ' PHE . 13.8 m -85.26 -12.36 11.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -84.97 -13.94 49.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.331 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.486 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 19.1 m-20 -125.18 -53.45 1.62 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.53 1.144 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.5 mt -96.25 112.74 24.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.741 ' OH ' HG11 ' A' ' 79' ' ' VAL . 46.2 p90 -163.26 162.88 25.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.813 HG21 ' CE1' ' A' ' 55' ' ' PHE . 31.9 t -106.91 140.97 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 8.9 mt-10 -129.01 -178.74 4.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.332 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.39 1.6 70.84 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.548 1.155 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.474 HD13 ' O ' ' A' ' 54' ' ' PRO . 72.3 mt -70.05 156.18 92.24 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.928 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.5 Cg_endo -74.96 -177.86 3.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.436 1.756 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -81.12 137.73 35.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.13 30.4 69.76 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.56 1.162 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.928 HD12 ' HG2' ' A' ' 50' ' ' PRO . 10.8 mt -150.49 95.38 3.53 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.777 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.474 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.6 Cg_endo -74.94 -161.47 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.545 1.813 . . . . 0.0 111.087 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.813 ' CE1' HG21 ' A' ' 46' ' ' VAL . 17.6 t80 -109.57 89.31 2.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 57' ' ' ARG . 25.6 mmt85 -139.94 166.1 25.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -36.07 125.36 0.69 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.515 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.03 1.13 8.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.482 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 54.2 p -95.56 3.89 53.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 110.002 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.48 -9.2 9.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.413 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.699 ' HB2' HD21 ' A' ' 66' ' ' LEU . 6.4 m-85 -79.11 157.94 27.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.07 163.75 52.42 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.564 1.165 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.651 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 62.7 mt -57.78 -43.6 98.81 Favored Pre-proline 0 C--N 1.327 -0.413 0 O-C-N 124.462 0.742 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -75.02 -32.51 5.29 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.457 1.767 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.06 -41.75 94.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.237 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.699 HD21 ' HB2' ' A' ' 61' ' ' TYR . 96.1 mt -65.25 -50.71 64.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -41.89 -59.63 1.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 72' ' ' ALA . 2.7 mtt-85 -49.19 -50.45 37.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.529 HG23 HD11 ' A' ' 76' ' ' ILE . 92.9 mt -52.38 -32.98 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.709 HD12 HD22 ' A' ' 8' ' ' LEU . 80.3 mt -79.15 -28.27 42.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.6 mt -84.95 -13.2 51.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -104.44 -4.64 22.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.613 1.196 . . . . 0.0 109.348 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.55 ' HB2' HD11 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -44.81 -43.91 9.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.401 1.063 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -52.86 -31.27 38.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 72' ' ' ALA . 2.4 mtt180 -95.97 -38.86 10.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.584 HD12 HD21 ' A' ' 15' ' ' LEU . 20.1 mt -37.74 142.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 10.0 ttt180 -160.55 145.63 14.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 5.5 m-85 -112.34 109.74 19.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 110.94 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.741 HG11 ' OH ' ' A' ' 45' ' ' TYR . 30.7 t -88.35 119.78 36.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.405 1.066 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.5 mm -109.4 60.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.486 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 6.5 mttt -44.7 -57.8 3.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.408 1.067 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.802 ' HB2' HD12 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -107.91 122.07 46.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.336 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.7 m80 -86.49 -58.95 2.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.638 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 23.0 pt-20 -45.49 -41.1 9.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.344 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.802 HD12 ' HB2' ' A' ' 82' ' ' LYS . 12.1 mt -43.5 -30.09 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.528 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 87.6 mt -59.09 -76.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.548 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 0.7 OUTLIER 39.12 60.19 1.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 -179.976 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.18 131.43 28.26 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.401 1.063 . . . . 0.0 110.002 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.9 t -110.88 -32.1 6.94 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.507 1.129 . . . . 0.0 110.423 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 42.53 80.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.321 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -102.04 74.46 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -136.95 136.54 38.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -147.13 119.97 8.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 97.9 p -128.85 98.28 4.92 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.504 1.128 . . . . 0.0 110.067 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 118.12 167.69 14.16 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -49.18 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.407 1.74 . . . . 0.0 110.98 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 43.0 t 63.3 125.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 t -169.61 160.24 8.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.989 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.54 139.74 1.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 0.733 . . . . 0.0 110.047 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.0 t -137.99 100.4 4.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.008 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.68 -156.59 3.48 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.1 m -96.22 -63.46 1.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 0.0 110.032 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 m -66.9 119.84 12.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.09 109.8 0.36 Allowed Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.621 HD22 HD12 ' A' ' 70' ' ' LEU . 43.0 mt -42.7 -63.36 0.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.48 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 0.2 OUTLIER -42.65 -53.61 4.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -55.83 -43.74 77.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.615 ' HB2' HD11 ' A' ' 70' ' ' LEU . 3.2 mt-30 -57.02 -51.92 67.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.231 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 49.2 t -67.04 -41.89 87.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -53.28 -54.18 40.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.66 -36.49 82.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.758 HD21 HD12 ' A' ' 76' ' ' ILE . 1.0 OUTLIER -64.11 -58.53 6.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.472 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.0 m-30 -40.72 -53.89 2.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.64 -50.24 74.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.26 -62.82 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.277 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.443 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 37.9 mmtt -47.96 -54.61 12.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.346 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.463 ' OH ' HD13 ' A' ' 86' ' ' LEU . 37.9 t80 -54.97 -45.75 75.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.98 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.531 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -60.88 -38.75 86.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -60.75 -45.39 94.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.437 1.085 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.69 -22.73 47.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.548 HG13 ' HB2' ' A' ' 26' ' ' ALA . 3.8 pt -119.69 18.21 6.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.14 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 21' ' ' ALA . 2.2 mtmm 39.14 59.62 1.64 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.548 ' HB2' HG13 ' A' ' 24' ' ' ILE . . . -107.06 122.72 47.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -93.91 27.95 2.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.42 170.52 25.05 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 . 005 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 117.12 4.8 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.778 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.49 HG11 HD11 ' A' ' 24' ' ' ILE . 5.8 m -109.03 166.42 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 95.1 m -103.56 144.21 31.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.376 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.472 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 64.5 mt -104.31 112.08 65.34 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.368 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.462 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 18.3 Cg_endo -74.93 116.85 4.72 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.507 1.793 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.74 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 13.4 m-85 -76.66 -33.96 1.25 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.589 1.181 . . . . 0.0 111.084 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.74 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -75.05 -69.23 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.992 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.462 ' HB2' ' HB2' ' A' ' 33' ' ' PRO . 63.8 mt -36.93 -46.62 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.452 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 8.1 m-85 -66.98 -45.96 76.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 35' ' ' PRO . 2.7 tt0 -63.86 -32.01 73.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.325 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 t -75.2 -35.71 61.48 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.466 ' NE2' HD22 ' A' ' 85' ' ' LEU . 38.1 m-70 -118.54 63.69 0.77 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.573 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.402 HG22 ' H ' ' A' ' 41' ' ' VAL . 6.6 m -74.34 -9.51 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -91.3 -13.51 32.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.436 1.085 . . . . 0.0 110.378 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.433 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 1.0 OUTLIER -119.92 -58.34 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.875 HD21 ' O ' ' A' ' 82' ' ' LYS . 11.9 mt -95.62 117.37 30.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.567 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 24.2 p90 -163.29 152.65 14.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.652 HG21 ' CE1' ' A' ' 55' ' ' PHE . 7.3 t -93.88 148.27 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 5.3 mt-10 -134.56 178.08 7.27 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.434 1.084 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.97 1.37 67.78 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.414 1.072 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 45.8 mt -68.94 152.3 96.87 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.559 0.799 . . . . 0.0 109.283 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.958 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.01 -177.55 3.55 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.537 1.809 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.89 139.87 33.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.424 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 70.32 29.09 70.49 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.541 1.151 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.958 HD12 ' HG2' ' A' ' 50' ' ' PRO . 6.8 mt -150.65 96.49 3.37 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -160.41 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.459 1.768 . . . . 0.0 111.055 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.652 ' CE1' HG21 ' A' ' 46' ' ' VAL . 15.2 t80 -110.19 87.28 2.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 111.053 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 57' ' ' ARG . 11.9 mmt-85 -139.01 165.62 26.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 56' ' ' ARG . 60.2 mtt180 -37.74 125.59 0.96 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.133 . . . . 0.0 110.265 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.567 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.01 1.87 7.26 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.536 1.808 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.48 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 81.4 p -88.45 8.68 26.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.43 1.081 . . . . 0.0 109.995 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.7 p -122.01 -42.39 2.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.397 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.567 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 13.5 m-85 -42.88 146.19 0.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.408 ' C ' ' HD2' ' A' ' 64' ' ' PRO . . . -71.56 164.48 53.99 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.476 1.11 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.635 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 32.5 mt -54.98 -44.39 99.55 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.537 0.786 . . . . 0.0 109.379 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.08 -32.87 4.93 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.542 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -65.52 -40.45 93.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.427 1.079 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.519 HD21 ' HB2' ' A' ' 61' ' ' TYR . 74.6 mt -65.64 -53.2 44.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.567 1.167 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -40.36 -60.11 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 0.0 110.334 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.578 ' HD3' HD11 ' A' ' 53' ' ' ILE . 3.1 mtp180 -46.91 -54.57 9.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.658 HD11 ' CG2' ' A' ' 53' ' ' ILE . 84.6 mt -48.35 -36.57 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.621 HD12 HD22 ' A' ' 8' ' ' LEU . 86.1 mt -75.73 -33.05 60.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' ARG . 63.9 mt -78.17 -12.11 59.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -106.77 -4.69 19.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.49 ' HB2' HD11 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -42.96 -50.45 5.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -47.25 -33.43 5.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 72' ' ' ALA . 0.9 OUTLIER -92.73 -39.1 11.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.227 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.758 HD12 HD21 ' A' ' 15' ' ' LEU . 16.6 mt -38.48 143.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.35 146.16 8.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.339 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.443 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 7.9 m-85 -110.4 110.64 21.49 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.446 1.091 . . . . 0.0 111.022 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.567 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 27.3 t -90.23 113.08 25.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.421 1.076 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.494 HG21 ' CE1' ' A' ' 83' ' ' HIS . 13.3 mm -103.87 71.21 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.433 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -51.82 -59.29 4.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.923 ' CB ' HD12 ' A' ' 85' ' ' LEU . 1.1 mmpp? -104.09 121.65 43.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.494 ' CE1' HG21 ' A' ' 80' ' ' ILE . 3.3 m-70 -85.59 -60.95 1.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 0.0 109.633 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 85' ' ' LEU . 11.6 pt-20 -42.44 -40.22 2.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.584 1.178 . . . . 0.0 110.332 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.923 HD12 ' CB ' ' A' ' 82' ' ' LYS . 17.2 mt -45.32 -40.06 7.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.253 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.463 HD13 ' OH ' ' A' ' 20' ' ' TYR . 83.3 mt -58.97 -60.31 4.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 47.51 92.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 109.336 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.1 p -127.22 150.27 49.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.053 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.553 ' O ' HG23 ' A' ' 89' ' ' THR . 9.7 t -161.26 60.97 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.386 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.87 130.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -134.97 91.18 2.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.333 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 178.55 115.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.451 1.095 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.4 tp -159.89 81.18 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.343 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 55.9 m 41.5 90.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -51.33 173.64 0.14 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.438 1.086 . . . . 0.0 111.098 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 102.11 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 111.05 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.4 118.45 29.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.2 t -60.62 153.33 24.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 110.063 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.1 m -121.2 141.48 50.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 109.929 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.62 135.62 33.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.69 106.46 2.95 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -155.97 152.59 28.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 0.792 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 172.86 111.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.991 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -157.23 125.36 1.56 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.443 1.089 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 63' ' ' ILE . 23.7 mt -40.03 -69.56 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 0.742 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.487 ' HD3' ' CB ' ' A' ' 59' ' ' SER . 0.5 OUTLIER -39.75 -53.66 2.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 ttpp -58.12 -44.54 87.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.224 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 8' ' ' LEU . 3.3 mt-30 -58.7 -55.61 32.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.45 HG11 ' HB3' ' A' ' 58' ' ' PRO . 53.6 t -62.33 -45.09 99.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -49.13 -51.31 32.88 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.423 1.077 . . . . 0.0 110.274 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -68.85 -40.76 79.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 110.363 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.754 HD21 HD12 ' A' ' 76' ' ' ILE . 1.5 tp -60.41 -59.65 5.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.478 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 1.8 m-30 -39.59 -57.11 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -58.32 -53.31 59.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 mtm-85 -39.53 -62.03 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.268 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.481 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 41.0 mmtt -45.55 -60.87 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -53.13 -51.75 60.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -54.95 -38.53 67.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.37 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -67.66 -38.98 84.55 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.403 1.064 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.22 -14.78 57.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 pt -123.47 2.88 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 21' ' ' ALA . 1.8 mtmt 55.25 61.76 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -113.27 124.26 52.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.67 25.88 3.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.59 170.22 24.28 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 117.35 4.88 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.429 1.752 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.0 m -111.34 165.63 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.243 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.9 m -103.29 142.11 34.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.43 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 28.3 mt -97.69 121.69 57.28 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.465 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.6 Cg_endo -74.92 108.86 2.81 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 111.061 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.709 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 4.4 m-85 -81.02 -37.83 0.96 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.08 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.709 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.2 Cg_endo -75.05 -68.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.782 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 35' ' ' PRO . 33.9 mt -36.4 -47.89 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.465 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 2.1 m-85 -57.54 -50.2 73.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.424 1.077 . . . . 0.0 111.009 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 35' ' ' PRO . 6.1 mm100 -54.59 -42.33 70.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 18.8 p -67.19 -33.21 74.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.563 ' CE1' HD22 ' A' ' 85' ' ' LEU . 14.5 m80 -124.3 70.15 1.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.661 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.6 m -82.48 -6.92 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 109.228 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -90.23 -15.67 30.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.244 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.492 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 21.8 m-20 -121.78 -49.41 2.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.244 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.0 mt -97.87 124.39 42.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.577 ' OH ' HG11 ' A' ' 79' ' ' VAL . 45.7 p90 -177.47 161.29 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.59 HG21 ' CE1' ' A' ' 55' ' ' PHE . 14.7 t -104.37 151.8 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.398 1.061 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 12.6 mt-10 -137.1 -179.58 5.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.8 1.57 67.55 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.478 1.111 . . . . 0.0 111.044 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.1 mt -70.05 155.07 94.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 0.74 . . . . 0.0 109.334 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.947 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.1 Cg_endo -75.02 -174.84 2.09 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -84.12 137.89 33.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.05 30.54 69.83 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.493 1.12 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.947 HD12 ' HG2' ' A' ' 50' ' ' PRO . 10.8 mt -150.11 96.29 3.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -162.06 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.79 . . . . 0.0 110.98 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.59 ' CE1' HG21 ' A' ' 46' ' ' VAL . 10.9 t80 -109.67 85.38 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 57' ' ' ARG . 21.4 mmt180 -135.42 165.52 25.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.8 OUTLIER -37.31 127.15 0.85 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.506 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.99 1.51 7.66 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.495 1.787 . . . . 0.0 111.024 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.487 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 26.3 p -95.54 5.21 52.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.021 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -123.71 -3.2 8.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.439 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.506 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 5.0 m-85 -84.47 157.6 21.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.64 164.01 53.85 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.561 1.163 . . . . 0.0 110.952 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.658 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 2.0 mp -59.32 -43.17 96.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.466 0.745 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.658 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -75.0 -29.27 8.4 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.543 1.812 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.632 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.4 OUTLIER -64.65 -49.55 70.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.372 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.433 HD13 ' N ' ' A' ' 9' ' ' ARG . 89.8 mt -58.41 -56.82 17.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 66' ' ' LEU . 2.6 mt-10 -37.16 -57.49 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.34 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.486 ' HD3' HD11 ' A' ' 53' ' ' ILE . 11.5 mtp180 -52.97 -51.78 60.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.356 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.575 HD11 ' CG2' ' A' ' 53' ' ' ILE . 93.7 mt -50.7 -31.93 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 63.7 mt -77.93 -31.89 51.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 76.7 mt -78.99 -15.33 58.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -102.29 -3.23 27.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.46 ' HB2' HD11 ' A' ' 15' ' ' LEU . 2.2 ptmt -47.98 -43.35 29.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -55.63 -17.98 6.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 76' ' ' ILE . 20.8 mmt180 -110.81 -36.89 5.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.578 1.174 . . . . 0.0 110.27 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.754 HD12 HD21 ' A' ' 15' ' ' LEU . 22.4 mt -39.28 143.99 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -160.73 145.67 14.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 4.9 m-85 -111.24 106.98 16.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.577 HG11 ' OH ' ' A' ' 45' ' ' TYR . 16.9 t -85.07 129.88 37.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.441 1.088 . . . . 0.0 109.341 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.609 HG23 HD11 ' A' ' 86' ' ' LEU . 4.1 mm -121.96 64.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.492 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 3.6 mtmt -47.62 -55.59 9.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 109.351 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.874 ' CB ' HD12 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -104.38 118.42 36.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.417 ' CD2' HG21 ' A' ' 80' ' ' ILE . 0.2 OUTLIER -88.76 -43.36 11.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.579 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -53.25 -22.27 6.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.874 HD12 ' CB ' ' A' ' 82' ' ' LYS . 45.9 mt -69.22 -16.38 63.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.609 HD11 HG23 ' A' ' 80' ' ' ILE . 7.9 mt -108.81 46.42 0.97 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -132.23 167.09 20.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.157 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.74 144.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.989 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.8 t 38.98 41.77 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.409 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.78 -20.11 54.72 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.432 1.083 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 46.31 95.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.565 1.166 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -129.84 164.51 23.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.204 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -153.31 172.44 17.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 109.338 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.2 t -145.71 155.24 42.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.061 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -167.07 110.54 0.4 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.126 . . . . 0.0 111.065 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 162.52 36.89 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.495 1.787 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.67 -56.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.983 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.49 157.79 19.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.544 1.152 . . . . 0.0 109.984 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.127 . . . . 0.0 111.025 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -134.99 -58.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -137.19 -59.42 0.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.974 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.18 162.92 23.76 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.562 1.164 . . . . 0.0 110.943 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.43 -59.2 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 0.73 . . . . 0.0 110.031 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.63 149.11 6.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.17 . . . . 0.0 110.052 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.45 110.91 0.4 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.468 1.105 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.498 HD22 HD12 ' A' ' 70' ' ' LEU . 51.8 mt -40.49 -69.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.455 ' HD3' ' CB ' ' A' ' 59' ' ' SER . 1.8 ttm-85 -38.75 -54.48 1.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.27 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -56.45 -47.05 79.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.528 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.9 mt-30 -53.59 -47.59 69.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.297 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 52.6 t -71.06 -45.35 72.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -51.55 -49.48 61.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -71.65 -39.82 70.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.268 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.595 HD22 HD23 ' A' ' 70' ' ' LEU . 2.6 tp -61.13 -52.7 63.76 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.474 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 1.7 m-30 -45.63 -60.56 2.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.554 1.159 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -51.85 -52.1 51.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -39.01 -64.44 0.45 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.554 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 41.3 mmtt -45.2 -59.8 2.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -51.27 -46.23 62.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.436 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -61.26 -38.82 88.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.387 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -62.6 -45.52 92.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.77 -19.58 29.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.512 HG13 ' HB2' ' A' ' 26' ' ' ALA . 6.1 pt -122.99 17.4 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.256 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 21' ' ' ALA . 15.6 mmtm 39.04 61.04 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.256 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.512 ' HB2' HG13 ' A' ' 24' ' ' ILE . . . -108.45 120.5 42.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.347 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.14 23.75 3.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -136.2 170.06 23.41 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.555 1.16 . . . . 0.0 110.946 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 117.17 4.82 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.409 HG11 HD11 ' A' ' 24' ' ' ILE . 8.7 m -110.33 164.84 6.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.9 m -103.08 145.05 30.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.39 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.474 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 41.9 mt -102.01 119.89 55.43 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.446 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.2 Cg_endo -74.9 105.8 2.15 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.519 1.799 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.729 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 9.0 m-85 -79.54 -36.11 1.04 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.729 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.1 Cg_endo -75.06 -68.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.44 ' HB2' ' HB2' ' A' ' 33' ' ' PRO . 40.8 mt -36.75 -54.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.592 1.182 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.446 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 2.3 m-85 -49.48 -47.6 48.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 35' ' ' PRO . 3.2 mm-40 -57.71 -35.28 70.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' SER . . . . . 0.419 ' OG ' ' CD2' ' A' ' 40' ' ' HIS . 71.5 p -83.81 -9.46 58.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.988 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.419 ' CD2' ' OG ' ' A' ' 39' ' ' SER . 57.4 m-70 -146.25 68.91 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.524 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.0 m -86.0 -12.31 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -87.01 -8.61 57.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -124.96 -51.73 1.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.4 mt -101.9 112.27 24.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.391 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.611 ' OH ' HG11 ' A' ' 79' ' ' VAL . 22.0 p90 -160.22 157.64 28.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.736 HG21 ' CE1' ' A' ' 55' ' ' PHE . 28.4 t -101.22 151.02 5.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.419 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 5.6 mt-10 -136.15 179.83 6.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.93 1.98 69.68 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.0 mt -72.92 155.99 90.11 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.557 0.799 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.926 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.98 -172.67 1.32 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.476 1.777 . . . . 0.0 111.037 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.33 139.67 30.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.18 29.91 70.04 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.547 1.154 . . . . 0.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.926 HD12 ' HG2' ' A' ' 50' ' ' PRO . 11.0 mt -150.28 96.58 3.44 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.525 0.779 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -162.38 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.551 1.816 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.736 ' CE1' HG21 ' A' ' 46' ' ' VAL . 22.3 t80 -109.99 76.4 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 57' ' ' ARG . 8.1 mmt180 -125.01 165.79 17.52 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.458 1.099 . . . . 0.0 110.267 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.4 OUTLIER -36.58 124.85 0.76 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.356 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.523 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.93 1.5 7.63 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.435 1.755 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.455 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 38.4 p -97.38 9.1 43.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.951 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 60' ' ' THR . 1.1 t -132.7 15.49 4.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.439 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.783 ' HB2' HD21 ' A' ' 66' ' ' LEU . 2.6 m-85 -99.62 160.81 14.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.436 1.085 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.43 163.38 52.85 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.423 1.077 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.632 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 21.3 mt -58.95 -44.59 99.09 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.341 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -75.09 -30.37 7.11 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.476 1.777 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.65 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.4 OUTLIER -63.98 -46.11 86.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.16 . . . . 0.0 110.357 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.783 HD21 ' HB2' ' A' ' 61' ' ' TYR . 94.5 mt -63.05 -55.42 25.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -38.8 -60.09 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.419 ' HD3' HD11 ' A' ' 53' ' ' ILE . 6.0 mtp180 -48.38 -52.9 19.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.545 HG23 HD11 ' A' ' 76' ' ' ILE . 96.8 mt -49.12 -35.69 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.595 HD23 HD22 ' A' ' 15' ' ' LEU . 83.2 mt -76.31 -33.89 59.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 50.1 mt -76.98 -12.89 60.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.384 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -107.68 -3.59 19.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.44 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -47.53 -36.99 11.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.244 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -59.22 -27.47 65.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 76' ' ' ILE . 2.6 mtt180 -101.33 -36.93 8.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.545 HD11 HG23 ' A' ' 69' ' ' ILE . 28.6 mt -38.41 144.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.236 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -160.61 146.94 15.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.554 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 4.1 m-85 -111.06 107.03 16.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 111.033 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.611 HG11 ' OH ' ' A' ' 45' ' ' TYR . 39.8 t -85.54 135.29 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.55 HD13 ' O ' ' A' ' 79' ' ' VAL . 3.1 mm -126.25 75.17 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -51.78 68.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.09 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.839 ' CB ' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -111.83 124.08 51.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.437 1.085 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.422 ' O ' ' N ' ' A' ' 86' ' ' LEU . 0.4 OUTLIER -88.37 -54.22 4.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.654 179.951 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -42.01 -45.07 3.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.1 . . . . 0.0 110.292 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.839 HD12 ' CB ' ' A' ' 82' ' ' LYS . 66.5 mt -44.59 -39.84 5.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 83' ' ' HIS . 85.1 mt -61.59 -57.32 12.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 50.4 93.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.523 1.139 . . . . 0.0 109.249 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.96 86.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.538 1.149 . . . . 0.0 110.021 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.8 p -78.77 -40.02 34.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.429 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.84 146.39 28.35 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.57 144.9 45.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -168.17 139.36 2.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.6 tp -170.54 114.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.0 p -177.37 161.26 1.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.042 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.19 168.13 40.14 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.563 1.164 . . . . 0.0 110.977 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 146.72 32.68 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.787 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.7 t -129.75 -60.57 1.03 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 110.053 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.9 m -158.38 -57.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 110.023 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 m 65.64 83.78 0.16 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 0.788 . . . . 0.0 110.01 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t 61.66 116.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.026 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.74 -87.51 0.19 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.66 150.34 23.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 0.746 . . . . 0.0 109.921 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.6 m 59.87 105.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.607 1.192 . . . . 0.0 109.985 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.58 147.66 17.61 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.532 HD22 HD12 ' A' ' 70' ' ' LEU . 42.1 mt -41.53 -68.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 9' ' ' ARG . 1.9 ttm105 -38.81 -53.85 1.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.43 -46.47 83.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.376 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.69 ' HB2' HD11 ' A' ' 70' ' ' LEU . 5.2 mt-30 -54.74 -53.2 58.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.591 1.182 . . . . 0.0 110.264 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 54.2 t -65.82 -44.89 92.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -49.19 -53.17 22.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.288 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -66.28 -39.73 89.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 110.317 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.69 HD21 HD12 ' A' ' 76' ' ' ILE . 1.4 tp -61.58 -61.46 2.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.133 . . . . 0.0 109.319 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.455 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.4 m-30 -37.6 -56.9 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 111.077 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 18' ' ' ARG . 3.6 mt-10 -56.95 -53.85 53.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' GLU . 0.9 OUTLIER -38.55 -64.79 0.4 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 110.305 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.57 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 59.6 mmtt -43.02 -59.13 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.426 1.079 . . . . 0.0 109.231 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.585 ' OH ' HD13 ' A' ' 86' ' ' LEU . 51.1 t80 -54.72 -54.31 43.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -53.15 -38.3 62.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -67.3 -40.21 86.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.35 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.13 -18.8 63.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.9 pt -119.87 6.99 6.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.607 1.192 . . . . 0.0 109.285 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 21' ' ' ALA . 0.2 OUTLIER 49.59 64.34 1.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -114.43 123.18 48.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -92.9 27.15 2.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -140.69 169.64 24.79 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.135 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 117.13 4.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.462 1.77 . . . . 0.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.0 m -110.85 163.86 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.9 m -103.04 145.14 30.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.371 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 19.2 mt -101.19 119.25 58.38 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.453 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 18.4 Cg_endo -74.97 105.37 2.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.525 1.803 . . . . 0.0 111.049 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.749 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 13.0 m-85 -78.39 -34.59 1.06 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.376 1.048 . . . . 0.0 110.975 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.749 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -75.01 -69.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.496 1.788 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.453 ' HB2' ' HB2' ' A' ' 33' ' ' PRO . 54.3 mt -36.39 -54.74 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.532 ' CZ ' ' HB3' ' A' ' 44' ' ' LEU . 3.0 m-85 -51.1 -51.04 57.33 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.418 1.074 . . . . 0.0 111.015 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 35' ' ' PRO . 2.9 mm-40 -51.58 -33.39 32.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.79 -27.56 33.66 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.531 1.144 . . . . 0.0 109.98 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.486 ' NE2' HD22 ' A' ' 85' ' ' LEU . 19.3 m-70 -126.53 58.05 1.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.537 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.9 m -73.29 -12.43 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -82.84 -25.51 32.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.305 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.43 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 0.6 OUTLIER -108.47 -55.9 2.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 47.1 mt -93.48 112.45 24.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.244 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.551 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 17.2 p90 -161.07 151.02 17.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 110.972 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.698 HG21 ' CE1' ' A' ' 55' ' ' PHE . 30.7 t -97.86 148.41 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 4.5 mt-10 -133.32 -178.77 5.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.95 1.88 69.44 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.431 HD13 ' O ' ' A' ' 54' ' ' PRO . 73.3 mt -69.99 153.49 95.36 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.949 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.1 Cg_endo -75.03 -172.0 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.457 1.767 . . . . 0.0 110.947 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.13 137.76 32.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.393 1.058 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.407 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 69.89 29.75 70.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.136 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.949 HD12 ' HG2' ' A' ' 50' ' ' PRO . 8.0 mt -150.22 95.96 3.53 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.526 0.78 . . . . 0.0 109.301 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.431 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.98 -161.43 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.457 1.767 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.698 ' CE1' HG21 ' A' ' 46' ' ' VAL . 8.5 t80 -109.59 83.41 1.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 57' ' ' ARG . 0.4 OUTLIER -134.96 165.7 24.73 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.496 1.122 . . . . 0.0 110.253 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.518 ' HB3' HG23 ' A' ' 60' ' ' THR . 2.8 mtt180 -36.17 129.56 0.64 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.347 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.486 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.5 Cg_endo -74.94 2.89 6.09 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.519 1.799 . . . . 0.0 111.051 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.457 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 1.2 m -97.38 6.35 48.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.97 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.518 HG23 ' HB3' ' A' ' 57' ' ' ARG . 15.5 p -121.03 -6.3 9.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 110.407 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.451 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 9.6 m-85 -86.05 150.39 24.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.407 ' C ' ' HD2' ' A' ' 64' ' ' PRO . . . -70.78 164.09 53.34 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.431 1.082 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.649 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 34.5 mt -56.11 -43.92 99.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.439 0.729 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.99 -32.6 5.25 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.517 1.799 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.645 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -64.27 -44.57 91.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.375 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.432 HD21 ' HB2' ' A' ' 61' ' ' TYR . 77.5 mt -61.88 -54.42 42.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -39.82 -61.35 0.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.5 ' HD3' HD11 ' A' ' 53' ' ' ILE . 0.5 OUTLIER -45.55 -55.04 6.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.607 HD11 ' CG2' ' A' ' 53' ' ' ILE . 89.1 mt -47.89 -38.36 7.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.69 HD11 ' HB2' ' A' ' 11' ' ' GLN . 76.9 mt -73.6 -32.8 64.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 68' ' ' ARG . 54.3 mt -76.54 -25.57 54.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.133 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -93.47 -2.87 53.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.469 ' HB2' HD11 ' A' ' 15' ' ' LEU . 1.5 ptmt -44.18 -46.65 8.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -50.29 -32.04 15.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.235 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 72' ' ' ALA . 9.8 mmt180 -94.77 -39.7 10.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.349 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.69 HD12 HD21 ' A' ' 15' ' ' LEU . 19.5 mt -37.74 142.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 2.8 ttp180 -160.97 142.44 11.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.359 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.57 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 4.8 m-85 -107.94 109.8 21.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 111.04 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.551 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 39.7 t -89.39 128.44 41.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.495 ' CG2' HD11 ' A' ' 86' ' ' LEU . 3.8 mm -118.98 78.81 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.43 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -61.79 -49.61 75.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.775 ' CB ' HD12 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -112.57 123.35 50.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.249 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.437 ' O ' ' N ' ' A' ' 86' ' ' LEU . 18.1 m-70 -86.9 -58.7 2.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.082 . . . . 0.0 109.547 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -40.53 -46.37 2.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.292 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.775 HD12 ' CB ' ' A' ' 82' ' ' LYS . 19.5 mt -45.15 -43.97 10.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 109.357 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.585 HD13 ' OH ' ' A' ' 20' ' ' TYR . 95.5 mt -55.58 -62.12 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -59.4 174.35 0.43 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.01 110.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.989 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 90' ' ' ARG . 18.4 p -143.82 -47.15 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.461 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 89' ' ' THR . 0.0 OUTLIER 36.93 40.23 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.303 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -130.81 99.53 4.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.353 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 p30 174.75 122.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.085 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.433 ' HA ' HD22 ' A' ' 93' ' ' LEU . 0.5 OUTLIER -100.63 75.54 1.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.26 90.46 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.037 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -145.54 107.06 0.41 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 78.23 2.94 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.33 106.31 1.52 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 110.01 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.87 109.36 10.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.958 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 110.925 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.82 112.11 23.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.496 0.762 . . . . 0.0 109.986 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 m 64.58 138.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.005 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.22 -109.84 3.89 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.463 1.102 . . . . 0.0 111.043 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 m -90.82 142.05 28.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 0.739 . . . . 0.0 110.032 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 m -75.38 -68.11 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.014 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.45 143.56 5.51 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.534 1.146 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.695 HD22 HD12 ' A' ' 70' ' ' LEU . 55.8 mt -45.54 -64.72 0.66 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 0.733 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.492 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 2.3 ttm180 -41.67 -49.77 4.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -60.75 -44.21 97.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.254 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.59 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.3 mt-30 -58.06 -52.79 64.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.446 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 49.2 t -66.67 -42.68 90.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -54.02 -54.38 39.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.81 -34.57 78.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.419 1.074 . . . . 0.0 110.26 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.672 HD21 HD12 ' A' ' 76' ' ' ILE . 1.4 tp -66.0 -54.34 27.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.155 . . . . 0.0 109.235 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.475 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.3 m-30 -44.85 -57.86 3.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.05 -50.21 71.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -42.06 -65.15 0.49 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 110.367 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.574 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 38.0 mmtt -43.55 -59.06 2.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.755 ' OH ' HD22 ' A' ' 86' ' ' LEU . 54.8 t80 -52.1 -47.97 64.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.567 1.167 . . . . 0.0 111.055 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.508 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -59.86 -38.06 81.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -63.77 -43.97 94.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.56 -18.13 38.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.49 HG13 ' HB2' ' A' ' 26' ' ' ALA . 4.0 pt -123.38 14.35 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.394 1.059 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 21' ' ' ALA . 30.2 mmtt 42.05 60.93 2.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.611 1.195 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.508 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -107.21 122.23 46.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.249 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.3 28.35 2.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.25 170.04 25.17 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.12 116.94 4.71 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.3 m -110.96 163.93 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.369 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 86.4 m -103.74 143.14 33.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.368 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 25.8 mt -97.26 120.99 59.99 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.14 . . . . 0.0 109.249 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.451 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 18.2 Cg_endo -75.07 107.14 2.41 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.81 . . . . 0.0 110.993 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.734 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 20.5 m-85 -79.62 -35.76 1.0 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 111.051 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.734 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.2 Cg_endo -75.05 -69.14 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.431 1.753 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.451 ' HB2' ' HB2' ' A' ' 33' ' ' PRO . 45.2 mt -36.2 -54.23 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.424 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 2.6 m-85 -50.78 -50.24 56.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 35' ' ' PRO . 1.7 mm100 -55.67 -29.85 60.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.361 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.39 -27.79 31.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.951 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.437 ' CD2' HD22 ' A' ' 85' ' ' LEU . 54.5 m-70 -130.1 69.76 1.44 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.459 1.099 . . . . 0.0 109.56 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.6 m -82.01 -9.48 11.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 0.0 109.328 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -84.84 -31.92 23.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.472 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 7.2 m-20 -103.13 -53.14 2.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.166 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.0 mt -95.39 121.07 36.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.445 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 22.9 p90 -170.97 155.13 4.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 111.019 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.701 HG21 ' CE1' ' A' ' 55' ' ' PHE . 13.5 t -96.75 153.39 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 11.8 mt-10 -140.57 174.71 10.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.14 1.27 87.74 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.448 1.093 . . . . 0.0 111.043 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 54' ' ' PRO . 56.2 mt -68.55 155.44 92.81 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.939 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.94 -165.19 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 111.078 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -93.15 137.37 32.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.425 ' O ' ' NH1' ' A' ' 65' ' ' ARG . . . 70.03 30.31 70.05 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.567 1.167 . . . . 0.0 111.007 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.939 HD12 ' HG2' ' A' ' 50' ' ' PRO . 6.6 mt -148.68 97.1 3.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.437 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.03 -159.75 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.445 1.761 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.701 ' CE1' HG21 ' A' ' 46' ' ' VAL . 16.8 t80 -111.65 85.02 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' ARG . 24.6 mmt180 -136.53 165.66 25.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.419 1.074 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' ARG . 43.2 mtt180 -37.56 125.37 0.92 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.428 1.08 . . . . 0.0 110.251 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.561 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.99 1.23 7.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.803 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.492 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 1.4 p -87.17 2.23 50.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.028 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.6 p -115.96 -39.16 3.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.435 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.567 ' HB2' HD21 ' A' ' 66' ' ' LEU . 11.6 m-85 -46.47 144.13 2.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 110.965 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.422 ' C ' ' HD2' ' A' ' 64' ' ' PRO . . . -68.2 164.63 47.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.649 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 13.6 mt -55.68 -43.75 99.32 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.463 0.743 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.98 -33.21 4.77 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.775 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.425 ' NH1' ' O ' ' A' ' 52' ' ' GLY . 0.2 OUTLIER -63.25 -44.75 94.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.356 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.567 HD21 ' HB2' ' A' ' 61' ' ' TYR . 89.2 mt -62.06 -54.34 42.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -39.11 -56.19 1.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.508 ' HD3' HD11 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -51.12 -54.3 26.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.522 HD11 ' CG2' ' A' ' 53' ' ' ILE . 85.6 mt -48.34 -35.42 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.364 1.04 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.695 HD12 HD22 ' A' ' 8' ' ' LEU . 77.6 mt -76.47 -31.51 57.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' ARG . 76.8 mt -78.06 -16.47 58.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -103.57 -4.42 23.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.61 1.194 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.518 ' HB2' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -45.9 -34.68 4.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -59.93 -33.96 72.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' ALA . 3.0 mtt180 -95.02 -35.81 11.81 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.473 1.108 . . . . 0.0 110.357 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.672 HD12 HD21 ' A' ' 15' ' ' LEU . 13.8 mt -37.79 141.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 6.4 ttt180 -161.04 145.25 13.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.339 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.574 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 5.4 m-85 -111.16 108.78 18.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.448 ' O ' HD13 ' A' ' 80' ' ' ILE . 18.9 t -88.09 133.22 31.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.448 HD13 ' O ' ' A' ' 79' ' ' VAL . 3.6 mm -123.71 70.6 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.472 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -55.13 -54.66 40.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.472 ' HB2' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -103.7 117.38 34.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -88.82 -50.93 5.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.631 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -42.17 -40.58 2.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.472 HD12 ' HB2' ' A' ' 82' ' ' LYS . 22.8 mt -44.03 -48.73 8.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.755 HD22 ' OH ' ' A' ' 20' ' ' TYR . 19.2 mt -57.61 -68.84 0.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 64.61 113.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.3 m 43.3 86.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.999 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.411 ' H ' HG23 ' A' ' 89' ' ' THR . 28.4 p -66.3 -44.31 83.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.452 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.79 143.27 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -171.06 128.12 0.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -171.23 152.0 3.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.32 59.58 2.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 109.361 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.9 p -172.62 115.05 0.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.99 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.53 122.26 5.92 Favored Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.437 1.086 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 166.36 29.35 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.416 1.745 . . . . 0.0 110.951 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.4 t -170.39 148.89 3.26 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.421 1.076 . . . . 0.0 110.018 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.88 136.62 2.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 110.031 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 -179.936 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.069 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.71 156.88 44.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 110.026 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.5 p -133.63 154.64 50.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.95 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.37 -105.23 0.23 Allowed Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.514 1.134 . . . . 0.0 110.969 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 t -60.28 -59.3 5.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 0.788 . . . . 0.0 109.976 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 m 62.38 165.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.019 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.46 171.0 35.42 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.508 1.13 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.713 HD22 HD12 ' A' ' 70' ' ' LEU . 47.9 mt -41.81 -67.72 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -39.03 -58.22 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 tttp -52.82 -47.71 67.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.707 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.4 mt-30 -53.47 -51.28 63.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.487 HG11 ' HB3' ' A' ' 58' ' ' PRO . 54.4 t -65.73 -46.26 89.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.409 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 29.2 mt-10 -49.95 -52.21 35.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.328 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -68.46 -38.59 81.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.266 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.953 HD21 HD12 ' A' ' 76' ' ' ILE . 1.2 tp -61.82 -55.54 28.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.472 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.4 m-30 -44.76 -60.83 1.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.409 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 2.5 mt-10 -56.22 -49.4 74.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.249 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -42.75 -62.17 1.07 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.534 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 47.7 mmtt -46.87 -60.75 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.316 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.404 ' OH ' HD13 ' A' ' 86' ' ' LEU . 54.7 t80 -50.07 -47.7 53.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.568 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -59.54 -39.88 85.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.088 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -62.02 -44.33 96.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.9 -19.53 43.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.502 HG13 ' HB2' ' A' ' 26' ' ' ALA . 4.0 pt -122.62 16.05 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 21' ' ' ALA . 21.0 mtmt 41.4 59.53 2.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 109.338 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.568 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -105.02 119.62 39.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.34 25.56 2.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.409 1.068 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.78 169.93 24.44 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.546 1.154 . . . . 0.0 111.034 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 117.35 4.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.783 . . . . 0.0 110.982 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.5 m -111.53 162.75 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.2 m -103.45 142.43 34.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.417 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.472 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 63.3 mt -98.21 118.73 63.18 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.605 1.191 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.444 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.4 Cg_endo -74.98 109.09 2.86 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.528 1.804 . . . . 0.0 111.006 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.753 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 14.5 m-85 -78.82 -34.42 0.98 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 111.065 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.753 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.0 Cg_endo -75.08 -70.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.464 1.77 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.457 ' C ' ' O ' ' A' ' 35' ' ' PRO . 89.3 mt -35.84 -54.39 0.74 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.444 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 3.6 m-85 -51.9 -48.42 64.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 35' ' ' PRO . 2.7 mm100 -57.39 -29.17 63.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.3 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.39 -25.28 29.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.948 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.683 ' NE2' HD22 ' A' ' 85' ' ' LEU . 87.6 m-70 -131.42 70.88 1.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.561 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.2 m -84.54 -9.19 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -90.72 -4.87 56.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.539 1.15 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.465 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 53.1 m-20 -126.02 -59.38 1.34 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.893 HD21 ' O ' ' A' ' 82' ' ' LYS . 15.5 mt -98.68 120.69 39.55 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.811 ' OH ' HG11 ' A' ' 79' ' ' VAL . 39.4 p90 -166.05 155.94 12.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.739 HG21 ' CE1' ' A' ' 55' ' ' PHE . 23.0 t -99.35 137.04 28.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 4.5 mt-10 -126.86 -177.69 4.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.34 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.85 1.79 68.56 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.533 1.146 . . . . 0.0 110.946 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.2 mt -70.25 154.81 94.27 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 0.0 109.333 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.967 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.99 -174.93 2.11 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.458 1.767 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.38 139.29 32.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.602 1.189 . . . . 0.0 110.285 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.4 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 69.94 30.1 70.37 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.436 1.085 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.967 HD12 ' HG2' ' A' ' 50' ' ' PRO . 9.7 mt -150.15 96.72 3.46 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.785 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -162.49 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.449 1.762 . . . . 0.0 111.035 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.739 ' CE1' HG21 ' A' ' 46' ' ' VAL . 9.3 t80 -110.21 84.83 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' ARG . 10.8 mmt85 -134.98 165.82 24.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.318 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.8 OUTLIER -37.5 127.23 0.89 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.573 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.98 1.35 7.83 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 9' ' ' ARG . 80.3 p -94.4 8.34 42.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.942 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.41 ' O ' HG23 ' A' ' 60' ' ' THR . 0.6 OUTLIER -129.83 4.5 4.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.453 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.573 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 4.1 m-30 -90.01 153.06 20.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.1 163.04 54.49 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.637 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 23.8 mt -56.8 -44.22 99.68 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.482 0.754 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.02 -30.64 6.93 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.465 1.771 . . . . 0.0 111.025 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.657 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.3 OUTLIER -67.99 -39.52 83.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.459 HD21 ' HB2' ' A' ' 61' ' ' TYR . 66.9 mt -67.72 -47.58 68.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -45.58 -63.92 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.541 ' HD3' HD11 ' A' ' 53' ' ' ILE . 4.7 mtp180 -44.76 -52.74 8.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.551 HD11 ' CG2' ' A' ' 53' ' ' ILE . 95.6 mt -49.79 -32.95 8.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.713 HD12 HD22 ' A' ' 8' ' ' LEU . 68.0 mt -81.83 -29.75 32.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 68' ' ' ARG . 10.5 mt -85.06 -3.15 58.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.409 ' C ' HG13 ' A' ' 76' ' ' ILE . . . -113.97 -1.88 13.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.595 ' HB2' HD11 ' A' ' 15' ' ' LEU . 2.6 pttp -48.6 -41.4 30.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -56.18 -17.29 6.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.353 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 76' ' ' ILE . 18.8 mmt-85 -111.43 -37.46 5.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.953 HD12 HD21 ' A' ' 15' ' ' LEU . 7.2 mt -39.4 140.36 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.545 1.153 . . . . 0.0 109.208 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 1.3 ttt180 -157.61 146.32 19.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.342 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.534 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 7.2 m-85 -113.52 107.14 15.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.811 HG11 ' OH ' ' A' ' 45' ' ' TYR . 40.6 t -85.07 119.3 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.346 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.698 HG21 ' CE1' ' A' ' 83' ' ' HIS . 6.5 mm -112.06 74.6 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.465 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 8.7 mttt -61.48 -54.25 45.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.921 ' CB ' HD12 ' A' ' 85' ' ' LEU . 7.3 mmtt -107.34 117.92 35.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.698 ' CE1' HG21 ' A' ' 80' ' ' ILE . 21.3 m-70 -86.84 -52.11 5.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 109.581 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 85' ' ' LEU . 14.0 pt-20 -46.45 -44.2 17.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.921 HD12 ' CB ' ' A' ' 82' ' ' LYS . 24.2 mt -43.69 -31.02 0.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.404 HD13 ' OH ' ' A' ' 20' ' ' TYR . 86.3 mt -66.74 -60.41 2.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 49.72 95.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.8 t -161.25 -60.84 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.584 1.177 . . . . 0.0 109.955 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.7 t 40.24 42.08 1.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 110.467 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.63 94.32 0.77 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -176.11 90.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.0 t0 178.47 110.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.355 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 65.32 150.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.632 1.208 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.8 p -78.49 -56.07 4.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.961 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 102.03 150.36 23.11 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.496 1.122 . . . . 0.0 111.05 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 165.47 31.32 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.435 1.755 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.55 79.02 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 110.026 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.5 m -139.84 157.99 44.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -48.08 136.0 12.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.763 . . . . 0.0 109.987 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.82 111.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 1.17 . . . . 0.0 109.967 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.51 -150.75 14.92 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.58 104.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 0.758 . . . . 0.0 109.987 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.6 p -127.16 128.82 46.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.959 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.41 -179.51 16.11 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.464 1.103 . . . . 0.0 111.003 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.625 HD22 HD12 ' A' ' 70' ' ' LEU . 66.7 mt -43.0 -65.2 0.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 0.75 . . . . 0.0 109.249 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.478 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 1.0 OUTLIER -39.46 -55.58 1.76 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.57 1.169 . . . . 0.0 110.345 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -53.62 -43.39 68.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.555 ' HB2' HD11 ' A' ' 70' ' ' LEU . 5.8 mt-30 -57.73 -50.24 73.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 110.321 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 53.0 t -67.36 -44.31 87.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.253 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.402 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 40.9 mt-10 -51.34 -54.43 26.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.58 1.175 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -65.43 -36.01 82.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 110.271 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.695 HD21 HD12 ' A' ' 76' ' ' ILE . 2.1 tp -64.47 -58.48 6.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.3 m-30 -40.96 -51.76 3.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 0.0 111.028 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 3.2 mt-10 -62.78 -51.14 68.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -40.84 -62.89 0.73 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.384 1.052 . . . . 0.0 110.285 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.573 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 43.3 mmtt -47.24 -60.79 2.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.229 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.533 ' OH ' HD13 ' A' ' 86' ' ' LEU . 49.8 t80 -50.26 -51.73 42.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.543 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -56.15 -40.25 73.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -64.48 -39.33 93.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.342 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.32 -15.54 57.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.5 pt -124.14 7.06 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 21' ' ' ALA . 21.0 mmtp 52.85 58.84 4.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.238 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.543 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -109.6 120.36 42.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.279 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -92.54 23.82 3.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -136.5 170.01 23.53 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.482 1.113 . . . . 0.0 110.982 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 118.1 5.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 110.969 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.5 m -111.96 161.36 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.8 m -103.18 138.85 39.44 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 110.459 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.2 mt -96.57 115.26 65.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.455 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 18.5 Cg_endo -74.91 117.83 5.06 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.481 1.779 . . . . 0.0 110.978 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.744 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 18.5 m-85 -77.51 -33.83 1.09 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.744 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -75.05 -68.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.54 1.811 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.455 ' HB2' ' HB2' ' A' ' 33' ' ' PRO . 27.0 mt -37.17 -44.52 0.57 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.234 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -70.52 -45.05 66.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 35' ' ' PRO . 1.9 tt0 -62.37 -37.34 85.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.264 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -27.79 63.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.025 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -130.48 69.9 1.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.55 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.3 m -80.8 -8.2 11.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -88.34 -15.31 36.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.459 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 2.5 m-20 -116.49 -58.31 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.846 HD21 ' O ' ' A' ' 82' ' ' LYS . 12.9 mt -95.34 114.04 25.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.575 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 16.2 p90 -159.39 151.89 21.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.65 HG21 ' CE1' ' A' ' 55' ' ' PHE . 4.4 t -94.3 143.24 12.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 4.4 mt-10 -128.55 178.19 6.48 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 0.0 110.269 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.35 1.43 69.98 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.523 1.14 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 54' ' ' PRO . 41.4 mt -68.33 153.25 95.83 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.943 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.98 -176.29 2.8 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.412 1.743 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.38 138.75 33.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 110.288 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.407 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 69.93 29.58 70.74 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.536 1.148 . . . . 0.0 110.965 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.943 HD12 ' HG2' ' A' ' 50' ' ' PRO . 7.6 mt -150.05 95.88 3.58 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.402 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.0 Cg_endo -75.04 -161.84 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.504 1.792 . . . . 0.0 111.004 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.65 ' CE1' HG21 ' A' ' 46' ' ' VAL . 13.1 t80 -108.27 87.59 2.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.438 ' N ' ' OH ' ' A' ' 61' ' ' TYR . 60.3 mmt-85 -139.22 165.67 26.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.252 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 56' ' ' ARG . 3.6 mtt180 -37.29 126.06 0.86 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 110.327 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.516 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.1 Cg_endo -75.08 0.65 8.69 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 0.0 110.918 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.478 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 24.7 p -94.8 3.11 55.4 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.523 1.14 . . . . 0.0 110.017 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.35 -11.26 10.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.432 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.672 ' HB2' HD21 ' A' ' 66' ' ' LEU . 7.0 m-85 -77.31 159.74 29.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.52 163.68 50.24 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.46 1.1 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.643 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 4.3 mt -57.2 -44.22 99.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 109.328 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.95 -33.18 4.84 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.484 1.781 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.59 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -65.25 -37.57 87.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.672 HD21 ' HB2' ' A' ' 61' ' ' TYR . 84.4 mt -69.32 -49.71 53.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -43.39 -59.19 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -48.31 -52.73 20.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.585 HD11 ' CG2' ' A' ' 53' ' ' ILE . 83.0 mt -49.41 -37.23 10.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.625 HD12 HD22 ' A' ' 8' ' ' LEU . 61.8 mt -73.73 -33.28 64.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 62.4 mt -77.7 -15.53 59.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -103.0 -4.48 24.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.46 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 1.1 pttt -47.6 -41.6 22.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -56.88 -22.11 34.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.338 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 72' ' ' ALA . 3.3 mtt-85 -106.31 -36.67 6.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.695 HD12 HD21 ' A' ' 15' ' ' LEU . 40.0 mt -39.06 145.12 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.576 1.173 . . . . 0.0 109.308 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -163.08 145.68 10.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.573 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 8.1 m-85 -110.83 108.65 18.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.405 1.066 . . . . 0.0 110.937 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.575 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 29.8 t -89.98 117.1 32.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.618 HG21 ' CD2' ' A' ' 83' ' ' HIS . 13.2 mm -105.35 68.27 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.17 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.459 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -47.44 -61.06 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.178 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.846 ' O ' HD21 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -102.03 120.45 40.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.618 ' CD2' HG21 ' A' ' 80' ' ' ILE . 0.3 OUTLIER -87.21 -59.59 2.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 109.589 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -42.73 -38.09 1.97 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 110.273 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.762 HD12 ' HB2' ' A' ' 82' ' ' LYS . 12.7 mt -45.95 -40.61 10.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.533 HD13 ' OH ' ' A' ' 20' ' ' TYR . 96.2 mt -64.33 -56.14 16.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -63.68 166.26 7.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.514 ' O ' HG22 ' A' ' 89' ' ' THR . 23.3 p -154.05 -59.49 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.04 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 88' ' ' SER . 11.6 t 43.9 38.27 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.379 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.42 98.95 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.329 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -78.45 135.7 37.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -160.16 123.84 3.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 63.51 161.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.0 t -60.48 -57.67 11.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -78.26 120.15 5.35 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.402 1.064 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 179.21 6.3 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.514 1.797 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 64.1 p -164.37 134.53 4.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 109.966 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.45 -58.67 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.435 1.084 . . . . 0.0 110.981 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.95 160.82 39.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 0.74 . . . . 0.0 110.043 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 66.36 96.61 0.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.93 177.4 40.86 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.555 1.159 . . . . 0.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.13 111.38 1.48 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 0.769 . . . . 0.0 110.004 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -147.67 126.38 12.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.986 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.71 124.01 5.27 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.683 HD22 HD12 ' A' ' 70' ' ' LEU . 49.9 mt -41.19 -64.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 0.771 . . . . 0.0 109.296 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.488 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -42.22 -55.08 3.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -56.47 -47.08 79.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.75 ' HB2' HD11 ' A' ' 70' ' ' LEU . 3.6 mt-30 -54.78 -51.29 66.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.471 HG11 ' HB3' ' A' ' 58' ' ' PRO . 54.9 t -66.2 -44.64 91.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -52.51 -55.0 25.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -65.53 -32.3 73.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 110.342 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.723 HD21 HD12 ' A' ' 76' ' ' ILE . 4.1 tp -68.41 -57.01 6.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.46 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.9 m-30 -42.86 -55.27 3.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -57.34 -53.31 59.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.327 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.5 -64.44 0.43 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.574 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 43.6 mmtt -45.79 -58.34 3.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -52.6 -57.88 8.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.614 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -51.11 -41.82 60.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -62.66 -39.78 95.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.81 -25.02 67.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.9 pt -113.11 7.69 7.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.604 1.19 . . . . 0.0 109.206 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 21' ' ' ALA . 6.5 mtmt 52.32 59.07 4.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.614 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -107.72 124.17 49.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.409 1.068 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -95.95 25.57 4.67 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -140.14 170.11 24.46 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.538 1.148 . . . . 0.0 111.022 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 117.41 4.9 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.534 1.807 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.1 m -112.85 163.82 9.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 92.6 m -103.84 144.24 31.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.38 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 47.6 mt -99.86 115.62 65.41 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.572 1.17 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.463 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 18.2 Cg_endo -74.98 116.79 4.7 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.582 1.832 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.742 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 22.0 m-85 -77.23 -33.86 1.13 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.742 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -74.96 -68.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.451 1.764 . . . . 0.0 111.056 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.463 ' HB2' ' HB2' ' A' ' 33' ' ' PRO . 67.5 mt -37.26 -45.06 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -69.87 -44.94 68.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.407 1.067 . . . . 0.0 111.041 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 35' ' ' PRO . 2.8 tt0 -62.63 -43.62 98.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.347 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.0 -32.69 73.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.965 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -124.88 71.33 1.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.572 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.5 m -81.96 -11.39 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.165 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -89.23 -3.51 58.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -123.48 -54.57 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.871 HD13 HD21 ' A' ' 86' ' ' LEU . 8.6 mt -106.45 117.39 33.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.558 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 18.1 p90 -158.06 152.09 24.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.578 1.174 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.689 HG21 ' CE1' ' A' ' 55' ' ' PHE . 7.6 t -94.57 138.16 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 109.229 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.427 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 7.6 mt-10 -125.85 178.97 5.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.66 1.55 72.12 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.434 1.084 . . . . 0.0 110.965 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.1 mt -68.37 155.89 91.52 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.44 0.73 . . . . 0.0 109.37 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.959 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.02 -170.34 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.027 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -88.92 138.51 31.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.439 ' O ' ' NH1' ' A' ' 65' ' ' ARG . . . 69.45 30.39 71.25 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.479 1.112 . . . . 0.0 111.042 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.959 HD12 ' HG2' ' A' ' 50' ' ' PRO . 7.7 mt -149.05 96.7 3.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.751 . . . . 0.0 109.277 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -162.58 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.446 1.761 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.689 ' CE1' HG21 ' A' ' 46' ' ' VAL . 14.1 t80 -108.77 86.34 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.965 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.425 ' N ' ' OH ' ' A' ' 61' ' ' TYR . 12.2 mmt180 -136.55 165.49 25.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 110.252 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 56' ' ' ARG . 3.1 mtt180 -37.29 126.83 0.85 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.426 1.078 . . . . 0.0 110.285 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.516 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -74.96 1.24 7.93 Favored 'Trans proline' 0 C--N 1.361 1.236 0 O-C-N 124.45 1.763 . . . . 0.0 110.977 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.488 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 25.1 p -96.32 8.16 44.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -127.03 1.13 6.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.632 ' HB2' HD21 ' A' ' 66' ' ' LEU . 5.3 m-85 -89.04 156.56 18.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.63 163.52 54.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.112 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.644 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 3.4 mt -57.18 -44.18 99.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.03 -32.48 5.31 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.556 1.819 . . . . 0.0 110.96 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 52' ' ' GLY . 0.3 OUTLIER -64.72 -40.22 94.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.632 HD21 ' HB2' ' A' ' 61' ' ' TYR . 89.9 mt -67.95 -50.13 57.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -44.35 -61.4 1.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.349 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.527 ' HD3' HD11 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -46.05 -51.96 12.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.558 HD11 ' CG2' ' A' ' 53' ' ' ILE . 87.0 mt -50.58 -39.39 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.75 HD11 ' HB2' ' A' ' 11' ' ' GLN . 42.9 mt -72.05 -29.18 63.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.7 mt -81.78 -15.87 52.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -102.37 -4.57 25.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.454 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -46.38 -44.49 17.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -53.85 -23.34 12.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 0.0 110.229 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' ALA . 11.6 mmt180 -104.75 -37.85 6.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.11 . . . . 0.0 110.298 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.723 HD12 HD21 ' A' ' 15' ' ' LEU . 44.3 mt -38.59 144.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -162.72 146.31 11.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.316 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.574 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 7.7 m-85 -112.8 107.55 16.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.412 1.07 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.558 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 23.3 t -88.1 118.21 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.534 HG21 ' CE1' ' A' ' 83' ' ' HIS . 13.8 mm -106.74 78.77 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -61.26 2.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.904 ' CB ' HD12 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -98.29 116.42 30.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.534 ' CE1' HG21 ' A' ' 80' ' ' ILE . 2.4 m-70 -87.37 -51.31 6.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.592 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -48.71 -44.14 37.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.904 HD12 ' CB ' ' A' ' 82' ' ' LYS . 19.0 mt -45.33 -31.26 1.54 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.871 HD21 HD13 ' A' ' 44' ' ' LEU . 17.0 mt -89.18 -72.04 0.57 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 67.7 109.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.245 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 54.2 p -153.91 118.64 4.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.442 ' O ' HG23 ' A' ' 89' ' ' THR . 6.7 t -141.28 56.69 1.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.407 1.067 . . . . 0.0 110.424 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.18 152.63 26.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -160.05 82.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 110.315 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.81 154.48 23.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.815 HD22 ' N ' ' A' ' 94' ' ' SER . 0.0 OUTLIER -149.05 158.02 43.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.815 ' N ' HD22 ' A' ' 93' ' ' LEU . 15.8 t -146.12 -50.11 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.979 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.87 160.53 34.89 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 122.15 7.01 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.526 1.803 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.22 89.63 1.0 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.942 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.5 t -56.9 160.22 3.63 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.568 1.167 . . . . 0.0 110.013 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.917 0 O-C-N 124.425 1.078 . . . . 0.0 111.015 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.3 t 63.48 145.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 0.757 . . . . 0.0 109.925 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.7 p -179.19 158.44 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.24 167.71 41.2 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 p -139.51 114.76 9.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 109.98 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.45 91.37 1.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.025 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.94 126.23 1.87 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 111.078 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.621 HD22 HD12 ' A' ' 70' ' ' LEU . 24.0 mt -40.23 -65.98 0.35 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 0.798 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -40.16 -52.81 2.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.19 -44.73 83.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.648 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.3 mt-30 -55.78 -50.19 71.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.324 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.488 HG11 ' HB3' ' A' ' 58' ' ' PRO . 50.2 t -68.82 -48.96 68.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -49.47 -48.64 47.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -71.35 -40.23 70.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.656 HD21 HD12 ' A' ' 76' ' ' ILE . 3.9 tp -60.63 -53.5 56.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.48 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.2 m-30 -44.7 -59.08 2.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -53.34 -49.75 66.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.276 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -42.94 -63.87 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.492 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 58.6 mmtt -44.03 -62.76 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.57 ' OH ' HD13 ' A' ' 86' ' ' LEU . 48.2 t80 -50.25 -43.39 53.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.067 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.494 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -63.0 -38.56 91.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -62.96 -46.08 89.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.05 -19.54 19.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.512 HG13 ' HB2' ' A' ' 26' ' ' ALA . 4.7 pt -122.4 17.74 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 24' ' ' ILE . 3.2 mmtt 39.12 60.88 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.512 ' HB2' HG13 ' A' ' 24' ' ' ILE . . . -107.98 126.85 53.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -95.84 10.97 35.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.357 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -124.05 169.79 16.19 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 111.058 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 117.27 4.85 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.438 1.757 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.486 HG11 HD11 ' A' ' 24' ' ' ILE . 12.7 m -109.05 164.99 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 0.0 109.319 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.8 m -103.35 145.98 29.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.48 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 42.9 mt -102.75 118.82 57.51 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.465 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.0 Cg_endo -75.04 108.13 2.64 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.466 1.772 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.721 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 11.2 m-85 -79.66 -36.8 1.09 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.721 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.1 Cg_endo -74.92 -69.49 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.537 1.809 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 35' ' ' PRO . 44.1 mt -35.79 -52.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.465 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 2.4 m-85 -51.67 -51.26 57.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 35' ' ' PRO . 0.0 OUTLIER -49.8 -41.03 43.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 t -72.7 -29.26 63.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.954 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.67 ' NE2' HD22 ' A' ' 85' ' ' LEU . 26.3 m-70 -126.91 71.61 1.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.591 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.8 m -85.23 -13.66 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -83.2 -23.28 32.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.467 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 0.4 OUTLIER -112.84 -54.29 2.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.513 HD21 ' O ' ' A' ' 82' ' ' LYS . 92.1 mt -94.21 112.44 24.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.568 ' OH ' HG11 ' A' ' 79' ' ' VAL . 51.6 p90 -167.05 157.76 11.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.57 HG21 ' CE1' ' A' ' 55' ' ' PHE . 37.8 t -101.63 152.6 5.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 2.0 mt-10 -138.51 -178.9 5.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 110.249 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.63 1.64 66.87 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.471 1.107 . . . . 0.0 110.937 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.1 mt -69.65 155.1 94.11 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.56 0.8 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.954 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.95 -173.72 1.67 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.489 1.784 . . . . 0.0 111.074 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -85.72 138.66 31.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.413 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 70.01 29.23 70.85 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.954 HD12 ' HG2' ' A' ' 50' ' ' PRO . 6.4 mt -150.18 95.22 3.62 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.433 0.726 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -162.73 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.459 1.768 . . . . 0.0 111.015 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.57 ' CE1' HG21 ' A' ' 46' ' ' VAL . 12.6 t80 -107.42 79.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' ARG . 24.1 mmt180 -130.38 165.88 21.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 110.332 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.449 ' O ' HG22 ' A' ' 60' ' ' THR . 2.0 mtt180 -37.62 125.86 0.93 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.32 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.584 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.05 2.16 6.96 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.554 1.818 . . . . 0.0 110.954 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 98.2 p -94.73 8.59 42.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.064 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.449 HG22 ' O ' ' A' ' 57' ' ' ARG . 2.2 t -127.96 2.44 5.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.415 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.584 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 7.3 m-85 -90.97 153.79 19.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.78 163.83 54.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.651 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 2.1 mp -57.36 -43.67 99.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.562 0.801 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.97 -33.08 4.9 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.464 1.771 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.674 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -63.71 -39.44 94.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 110.266 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 76.9 mt -68.22 -49.64 59.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.245 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -44.02 -62.24 1.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.419 1.075 . . . . 0.0 110.279 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.448 ' HA ' HD12 ' A' ' 71' ' ' LEU . 9.0 mtt-85 -45.19 -53.02 8.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.238 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.66 HD11 ' CG2' ' A' ' 53' ' ' ILE . 89.9 mt -49.91 -39.28 15.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.648 HD11 ' HB2' ' A' ' 11' ' ' GLN . 65.0 mt -71.52 -33.05 68.84 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 68' ' ' ARG . 12.4 mt -79.31 -15.43 57.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -101.51 -5.19 25.52 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.411 1.07 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.496 ' HB2' HD11 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -45.67 -50.34 13.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -49.59 -22.45 1.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.246 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 72' ' ' ALA . 22.4 mmt180 -104.43 -38.81 6.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.656 HD12 HD21 ' A' ' 15' ' ' LEU . 41.9 mt -39.44 145.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.427 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 2.5 ttt180 -161.35 145.04 12.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.492 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 4.4 m-85 -110.51 108.45 18.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.568 HG11 ' OH ' ' A' ' 45' ' ' TYR . 21.5 t -87.98 105.94 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.413 ' CG2' HD11 ' A' ' 86' ' ' LEU . 7.9 mm -98.35 61.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.176 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.467 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 1.6 mttp -44.49 -56.74 4.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.941 ' CB ' HD12 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -105.47 122.46 46.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -88.04 -58.52 2.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.641 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -43.07 -41.39 3.52 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.47 1.106 . . . . 0.0 110.383 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.941 HD12 ' CB ' ' A' ' 82' ' ' LYS . 13.9 mt -45.02 -41.92 7.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.57 HD13 ' OH ' ' A' ' 20' ' ' TYR . 45.5 mt -56.21 -56.12 24.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -77.38 100.57 6.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.6 p -173.73 100.87 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 109.996 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 179.54 -36.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.445 1.091 . . . . 0.0 110.485 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.63 98.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.348 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -105.54 114.26 28.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -176.44 93.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.71 130.57 1.63 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.52 133.59 36.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.036 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 157.46 128.52 1.04 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 110.966 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 174.88 12.02 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.446 1.761 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 81.0 p -148.29 147.55 29.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.012 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 84.0 p -165.5 167.28 17.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.475 1.11 . . . . 0.0 111.018 -179.954 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.56 93.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 0.774 . . . . 0.0 110.027 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.2 p -146.35 145.11 30.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.586 1.179 . . . . 0.0 110.066 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.05 -164.34 23.32 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.73 162.3 23.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 0.792 . . . . 0.0 110.042 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.89 -54.92 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.561 1.163 . . . . 0.0 110.044 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.57 161.64 12.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.788 HD22 HD12 ' A' ' 70' ' ' LEU . 83.5 mt -45.33 -63.83 0.86 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.453 0.737 . . . . 0.0 109.301 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -37.96 -56.79 1.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.37 -48.93 73.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.352 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.609 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.9 mt-30 -52.66 -47.86 66.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.347 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.504 HG11 ' HB3' ' A' ' 58' ' ' PRO . 54.6 t -69.6 -46.11 76.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.408 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 36.8 mt-10 -50.77 -52.78 37.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 110.269 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.97 -34.39 77.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.894 HD21 HD12 ' A' ' 76' ' ' ILE . 1.1 tp -66.27 -56.91 8.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -43.22 -55.99 3.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.408 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 3.0 mt-10 -59.66 -49.4 77.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.8 mmt-85 -43.86 -61.0 1.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.209 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.568 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 38.7 mmtt -48.36 -59.13 3.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.497 ' OH ' HD22 ' A' ' 86' ' ' LEU . 59.1 t80 -51.97 -53.76 37.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.599 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -53.96 -39.57 66.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -65.82 -38.45 88.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.4 -12.82 46.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.2 pt -126.11 3.69 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER 56.33 58.91 3.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.599 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -108.57 120.93 43.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -93.4 28.85 2.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.355 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -143.37 170.08 25.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 117.81 5.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.0 m -112.41 162.47 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.379 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 99.9 m -103.58 143.86 32.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.399 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 51.9 mt -99.22 118.22 62.84 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.456 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 18.1 Cg_endo -75.03 115.83 4.4 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.52 1.8 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.747 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 24.9 m-85 -77.49 -33.77 1.09 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.747 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.4 Cg_endo -75.02 -68.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.456 ' HB2' ' HB2' ' A' ' 33' ' ' PRO . 77.5 mt -37.15 -45.53 0.63 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.574 1.171 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.469 ' O ' HG13 ' A' ' 41' ' ' VAL . 9.5 m-85 -70.33 -44.0 69.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.419 1.075 . . . . 0.0 111.039 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 35' ' ' PRO . 20.1 tp60 -57.55 -50.15 74.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.3 -22.59 61.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.003 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -126.57 72.07 1.32 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.666 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 37' ' ' PHE . 4.6 m -91.64 -6.78 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -85.0 -29.03 25.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.253 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.408 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 16.4 m-20 -107.39 -50.69 3.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.5 mt -94.83 117.06 29.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.496 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 12.0 p90 -165.16 150.47 9.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 110.955 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.671 HG21 ' CE1' ' A' ' 55' ' ' PHE . 6.1 t -93.84 151.06 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -135.21 178.93 6.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.377 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.74 2.37 69.81 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.2 mt -71.33 153.99 93.82 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.453 0.737 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.936 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.95 -177.4 3.43 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -82.32 139.24 34.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.41 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 70.08 29.3 70.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.561 1.163 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.936 HD12 ' HG2' ' A' ' 50' ' ' PRO . 7.9 mt -150.48 95.18 3.56 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 109.34 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.82 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.671 ' CE1' HG21 ' A' ' 46' ' ' VAL . 13.6 t80 -107.17 87.29 2.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.438 ' N ' ' OH ' ' A' ' 61' ' ' TYR . 26.0 mmt180 -138.31 166.01 25.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.2 OUTLIER -36.55 126.76 0.73 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.514 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.05 0.69 8.62 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.789 . . . . 0.0 110.948 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 t -97.23 8.38 44.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.991 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 60' ' ' THR . 0.5 OUTLIER -125.75 3.91 7.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.407 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.672 ' HB2' HD21 ' A' ' 66' ' ' LEU . 6.9 m-85 -93.23 159.28 15.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.9 163.71 52.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.42 1.075 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.649 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.9 mp -57.6 -43.89 99.15 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.55 0.794 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.04 -33.5 4.5 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.496 1.787 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.605 ' HD3' HG23 ' A' ' 53' ' ' ILE . 1.1 mtt180 -63.73 -40.33 96.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.672 HD21 ' HB2' ' A' ' 61' ' ' TYR . 80.9 mt -66.28 -53.27 38.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.408 ' HG2' HD21 ' A' ' 8' ' ' LEU . 1.2 mt-10 -40.2 -59.87 1.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.342 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.464 ' HD3' HD11 ' A' ' 53' ' ' ILE . 0.6 OUTLIER -47.85 -52.77 17.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.49 ' O ' HD11 ' A' ' 76' ' ' ILE . 94.2 mt -48.86 -35.0 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.788 HD12 HD22 ' A' ' 8' ' ' LEU . 75.6 mt -78.43 -30.45 47.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 68' ' ' ARG . 71.6 mt -78.48 -19.27 53.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . -99.5 -0.85 39.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.489 ' HB2' HD11 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -49.29 -39.57 31.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -59.67 -14.73 15.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 110.263 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 76' ' ' ILE . 0.4 OUTLIER -115.12 -36.31 4.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.22 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.894 HD12 HD21 ' A' ' 15' ' ' LEU . 16.1 mt -39.0 142.84 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 12.3 ttt180 -162.62 144.34 10.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.248 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.568 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 5.8 m-85 -110.22 106.42 15.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.608 ' O ' HD13 ' A' ' 80' ' ' ILE . 25.5 t -83.84 140.19 16.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.608 HD13 ' O ' ' A' ' 79' ' ' VAL . 3.5 mm -128.31 74.58 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.439 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -58.12 -51.25 70.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.66 ' CB ' HD12 ' A' ' 85' ' ' LEU . 1.1 mttt -107.76 117.99 35.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -88.56 -53.39 4.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.571 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -40.98 -41.81 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.385 1.053 . . . . 0.0 110.331 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.66 HD12 ' CB ' ' A' ' 82' ' ' LYS . 37.4 mt -44.09 -42.96 6.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.417 1.073 . . . . 0.0 109.24 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.497 HD22 ' OH ' ' A' ' 20' ' ' TYR . 91.6 mt -62.65 -69.36 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.414 1.071 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 71.43 -61.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 109.355 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.04 159.01 18.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.576 1.173 . . . . 0.0 109.927 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.569 ' O ' HG23 ' A' ' 89' ' ' THR . 9.9 t -160.24 61.97 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.4 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -41.2 129.79 2.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.414 1.071 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -120.57 65.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.424 1.077 . . . . 0.0 110.314 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -173.54 125.28 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -107.52 106.1 16.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 95.4 p 43.44 81.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.07 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -152.53 123.11 1.4 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -46.0 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.475 1.776 . . . . 0.0 110.953 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.78 133.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.013 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.85 -58.2 4.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.127 . . . . 0.0 110.029 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.415 1.072 . . . . 0.0 111.021 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.932 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -159.82 -57.87 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 0.725 . . . . 0.0 110.009 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.82 137.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.026 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.96 -153.06 10.38 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.408 1.068 . . . . 0.0 110.961 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.2 -60.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 0.782 . . . . 0.0 110.014 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.0 p -147.1 153.93 40.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.002 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.47 91.84 0.6 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.436 1.085 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.706 HD22 HD12 ' A' ' 70' ' ' LEU . 64.4 mt -40.37 -61.85 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 0.732 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.49 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -43.93 -54.22 5.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.297 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -45.55 81.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.229 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.527 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.0 mt-30 -55.37 -52.1 64.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 50.2 t -66.4 -45.05 90.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.4 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 40.5 mt-10 -49.84 -52.15 34.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.29 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.33 -40.6 81.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.296 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.769 HD21 HD12 ' A' ' 76' ' ' ILE . 1.1 tp -59.86 -56.54 20.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.466 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.0 m-30 -42.37 -57.12 2.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 111.047 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.4 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 2.9 mt-10 -58.58 -51.14 71.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.44 -61.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.533 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 29.8 mmtt -48.26 -54.52 13.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 1.0 ' OH ' HD13 ' A' ' 86' ' ' LEU . 39.3 t80 -55.75 -51.27 67.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -57.82 -42.66 84.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.382 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -60.81 -40.05 91.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.173 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.56 -37.72 82.18 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.733 HG22 ' CE1' ' A' ' 83' ' ' HIS . 7.2 pt -99.55 7.76 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.368 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 21' ' ' ALA . 4.0 mmtt 51.52 60.18 4.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.427 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -111.3 126.49 54.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.44 27.57 3.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -141.32 170.0 24.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.561 1.163 . . . . 0.0 111.071 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 117.24 4.85 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 111.075 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.419 HG22 ' HB2' ' A' ' 21' ' ' ALA . 7.9 m -110.11 163.66 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.167 . . . . 0.0 109.356 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 92.4 m -103.33 144.08 31.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.423 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.466 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 48.5 mt -97.1 115.62 65.78 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.442 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.3 Cg_endo -74.97 113.06 3.71 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.479 1.778 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.759 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 22.4 m-85 -77.73 -33.3 1.0 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 111.051 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.759 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.2 Cg_endo -74.94 -69.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.533 1.807 . . . . 0.0 111.031 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 35' ' ' PRO . 55.7 mt -36.77 -49.48 0.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.38 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.442 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 6.4 m-85 -61.2 -47.24 87.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.587 1.179 . . . . 0.0 110.951 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 35' ' ' PRO . 1.9 mm-40 -60.35 -32.08 70.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.236 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.67 -36.02 62.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.541 ' ND1' HD13 ' A' ' 85' ' ' LEU . 29.4 m80 -124.17 66.77 1.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.6 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.4 m -76.15 -8.49 11.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -86.92 -23.13 25.26 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.586 1.179 . . . . 0.0 110.2 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.481 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 18.8 m-20 -113.14 -56.37 2.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.238 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.629 HD13 HD21 ' A' ' 86' ' ' LEU . 40.1 mt -90.85 112.57 24.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.253 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.691 ' OH ' HG11 ' A' ' 79' ' ' VAL . 46.0 p90 -164.19 162.53 22.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.614 HG21 ' CE1' ' A' ' 55' ' ' PHE . 6.4 t -103.46 147.44 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 7.7 mt-10 -134.39 -179.68 5.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.69 1.94 68.18 Favored Glycine 0 CA--C 1.528 0.895 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.484 HD13 ' O ' ' A' ' 54' ' ' PRO . 50.2 mt -68.98 153.56 95.97 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.439 0.729 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.906 ' HG2' HD12 ' A' ' 53' ' ' ILE . 17.9 Cg_endo -75.08 178.49 7.21 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.466 1.771 . . . . 0.0 110.913 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.21 138.0 38.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.4 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 70.13 30.05 70.03 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.554 1.159 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.906 HD12 ' HG2' ' A' ' 50' ' ' PRO . 11.2 mt -150.43 96.43 3.43 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.484 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.03 -162.12 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.457 1.767 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.614 ' CE1' HG21 ' A' ' 46' ' ' VAL . 8.7 t80 -109.54 86.96 2.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 57' ' ' ARG . 21.4 mmt85 -137.75 165.9 25.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.3 OUTLIER -36.0 126.18 0.67 Allowed Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.554 1.159 . . . . 0.0 110.31 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.492 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.04 1.42 7.78 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.558 1.82 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.49 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 27.4 p -96.91 6.1 49.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.042 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -123.0 -3.56 8.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.676 ' HB2' HD21 ' A' ' 66' ' ' LEU . 5.6 m-85 -84.71 157.16 21.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.45 163.76 53.03 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.65 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 13.3 mt -57.64 -43.84 99.09 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.533 0.784 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.02 -32.13 5.61 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.459 1.768 . . . . 0.0 110.968 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.56 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.9 OUTLIER -65.31 -42.92 92.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.339 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.676 HD21 ' HB2' ' A' ' 61' ' ' TYR . 92.4 mt -64.17 -52.03 60.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.02 -58.8 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.466 ' HD3' HD11 ' A' ' 53' ' ' ILE . 5.0 mtp180 -49.88 -51.16 42.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.492 ' O ' HD11 ' A' ' 76' ' ' ILE . 87.4 mt -50.89 -32.22 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.706 HD12 HD22 ' A' ' 8' ' ' LEU . 84.4 mt -80.87 -29.69 35.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 68.7 mt -80.99 -20.77 41.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . -97.32 -2.71 41.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.468 ' HB2' HD11 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -47.17 -43.99 21.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -54.89 -21.08 10.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 110.328 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 72' ' ' ALA . 6.4 mtt-85 -107.09 -37.23 6.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.769 HD12 HD21 ' A' ' 15' ' ' LEU . 19.9 mt -38.9 142.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.097 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 10.3 ttt180 -162.52 145.26 11.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.551 1.157 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.533 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 7.7 m-85 -109.65 107.33 17.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.691 HG11 ' OH ' ' A' ' 45' ' ' TYR . 35.7 t -85.21 110.03 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.2 mm -100.55 60.19 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.481 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 3.0 mtmt -44.59 -57.13 3.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.515 ' O ' HD21 ' A' ' 44' ' ' LEU . 7.6 mttm -101.15 106.13 17.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.733 ' CE1' HG22 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -85.01 -40.86 16.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.564 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -51.19 -28.18 10.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.342 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.541 HD13 ' ND1' ' A' ' 40' ' ' HIS . 15.0 mt -66.01 -28.41 68.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.247 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 1.0 HD13 ' OH ' ' A' ' 20' ' ' TYR . 6.2 mt -102.17 53.21 0.8 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -78.69 96.53 5.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.8 t -165.15 102.71 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.942 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.8 t -113.05 -45.8 3.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 110.341 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.12 84.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.102 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -96.42 140.1 31.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.173 . . . . 0.0 110.215 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -177.62 134.38 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.5 tp -147.55 115.33 6.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.412 1.07 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.5 m -113.68 149.15 35.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.586 1.179 . . . . 0.0 110.062 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -164.76 97.27 0.14 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.486 1.117 . . . . 0.0 111.002 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 109.64 2.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.9 t -161.66 81.6 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.2 t 59.0 162.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.534 1.146 . . . . 0.0 109.96 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.548 1.155 . . . . 0.0 111.017 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.1 p -58.54 -52.66 64.73 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.504 0.767 . . . . 0.0 109.921 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.75 -80.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.553 1.158 . . . . 0.0 110.07 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.81 179.77 22.71 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 t -152.98 -60.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 110.009 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.3 m -99.01 154.67 17.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.51 123.57 4.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.754 HD22 HD12 ' A' ' 70' ' ' LEU . 32.2 mt -44.95 -56.37 4.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.478 ' HD3' ' CB ' ' A' ' 59' ' ' SER . 3.5 ttm180 -37.35 -56.81 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.479 ' CD ' ' HG3' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -54.14 -62.0 1.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.504 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.5 mt-30 -38.52 -41.1 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.33 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.455 HG11 ' HB3' ' A' ' 58' ' ' PRO . 55.3 t -76.7 -44.95 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 10' ' ' LYS . 44.6 mt-10 -53.15 -48.83 67.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.276 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' GLU . . . . . 0.479 ' HG3' ' CD ' ' A' ' 10' ' ' LYS . 4.9 mm-40 -68.14 -40.54 82.42 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.554 1.159 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.644 HD21 HD12 ' A' ' 76' ' ' ILE . 2.3 tp -61.88 -51.86 66.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.477 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.6 m-30 -46.28 -54.48 8.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 3.0 mt-10 -59.44 -49.11 79.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.584 1.178 . . . . 0.0 110.308 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -42.3 -63.91 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.565 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 40.4 mmtt -43.85 -61.81 1.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -51.96 -53.59 39.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -52.98 -38.71 62.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -67.87 -38.8 83.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.93 -16.46 61.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 109.253 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.8 pt -121.71 2.48 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 21' ' ' ALA . 4.0 mmmt 55.67 63.11 2.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.259 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -114.33 124.37 51.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -94.75 27.07 3.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -141.03 170.11 24.69 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 117.01 4.76 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.432 1.753 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.3 m -111.18 165.76 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.5 m -103.57 141.7 35.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.477 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 24.0 mt -97.76 123.71 50.79 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.448 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 18.4 Cg_endo -75.01 105.74 2.14 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.524 1.802 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.708 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 11.3 m-85 -80.5 -37.26 1.0 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 111.038 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.708 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.6 Cg_endo -74.96 -68.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.435 1.755 . . . . 0.0 111.032 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.448 ' HB2' ' HB2' ' A' ' 33' ' ' PRO . 35.4 mt -36.49 -53.81 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 2.0 m-85 -50.57 -49.82 55.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -53.87 -36.9 63.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.381 179.895 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.36 -26.88 52.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.044 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.443 ' NE2' HD22 ' A' ' 85' ' ' LEU . 61.9 m-70 -128.16 66.54 1.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.587 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.4 m -81.05 -9.52 11.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -85.96 -20.34 29.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.459 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 0.6 OUTLIER -116.06 -50.58 2.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.071 . . . . 0.0 109.278 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.402 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 75.2 mt -96.49 119.4 34.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.46 ' CE2' ' HG3' ' A' ' 81' ' ' LYS . 14.2 p90 -169.75 151.91 4.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.724 HG21 ' CE1' ' A' ' 55' ' ' PHE . 27.1 t -96.42 151.24 4.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 13.4 mt-10 -136.71 175.5 9.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.49 1.81 83.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.497 HD13 ' O ' ' A' ' 54' ' ' PRO . 53.0 mt -70.41 152.58 95.46 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.545 0.791 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.941 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.0 Cg_endo -75.14 171.52 18.15 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.454 1.765 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -71.77 141.42 49.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.409 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 68.05 29.24 73.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.941 HD12 ' HG2' ' A' ' 50' ' ' PRO . 9.4 mt -150.69 97.35 3.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.412 0.713 . . . . 0.0 109.319 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.497 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.99 -162.25 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.572 1.828 . . . . 0.0 110.982 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.724 ' CE1' HG21 ' A' ' 46' ' ' VAL . 9.3 t80 -109.59 78.63 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' ARG . 17.7 mmt85 -129.63 165.33 22.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.207 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.473 ' HB3' HG23 ' A' ' 60' ' ' THR . 4.0 mtt180 -37.57 126.64 0.91 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 110.262 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.576 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.02 2.34 6.74 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.517 1.798 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.478 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 1.8 p -92.8 2.3 56.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.992 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.473 HG23 ' HB3' ' A' ' 57' ' ' ARG . 1.7 p -119.97 -9.04 9.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.429 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.576 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 6.9 m-30 -78.69 153.57 30.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.39 164.07 54.85 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.558 1.162 . . . . 0.0 111.025 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.65 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.4 mp -56.98 -43.73 99.52 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.464 0.744 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.99 -33.2 4.78 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.49 1.784 . . . . 0.0 110.97 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.563 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.4 OUTLIER -63.8 -40.72 97.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.307 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 75.5 mt -66.37 -51.4 57.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.624 1.202 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -42.29 -59.15 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.376 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 72' ' ' ALA . 4.8 mtp180 -48.42 -52.9 19.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 110.287 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.531 HG23 HD11 ' A' ' 76' ' ' ILE . 89.4 mt -49.52 -39.62 14.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.754 HD12 HD22 ' A' ' 8' ' ' LEU . 83.6 mt -72.88 -27.47 61.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 68' ' ' ARG . 61.0 mt -81.89 -25.07 35.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -94.14 -3.42 51.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.4 1.063 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.475 ' HB2' HD11 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -46.45 -39.07 10.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -57.93 -28.17 64.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.378 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 72' ' ' ALA . 4.6 mtt180 -99.99 -37.19 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.644 HD12 HD21 ' A' ' 15' ' ' LEU . 29.3 mt -38.82 143.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 12.4 ttt180 -161.09 145.23 13.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.565 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 4.9 m-85 -109.83 107.81 17.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.51 ' O ' HD13 ' A' ' 80' ' ' ILE . 19.7 t -88.11 133.03 31.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.51 HD13 ' O ' ' A' ' 79' ' ' VAL . 3.0 mm -125.23 72.9 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.46 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -55.73 -49.46 73.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.399 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.905 ' CB ' HD12 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -108.96 122.23 46.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -87.61 -61.09 1.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.396 1.06 . . . . 0.0 109.61 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -42.72 -41.44 3.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 110.327 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.905 HD12 ' CB ' ' A' ' 82' ' ' LYS . 16.7 mt -45.39 -39.74 7.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 109.253 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.497 HD11 HG21 ' A' ' 80' ' ' ILE . 83.6 mt -53.11 -62.33 1.72 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.562 ' O ' HG22 ' A' ' 89' ' ' THR . 48.4 m-20 -57.32 -60.91 2.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t -45.1 144.98 1.12 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.15 . . . . 0.0 109.971 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.562 HG22 ' O ' ' A' ' 87' ' ' ASN . 0.3 OUTLIER -179.96 -36.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 110.451 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.86 112.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.427 ' OE2' HD23 ' A' ' 93' ' ' LEU . 0.9 OUTLIER -148.55 90.21 1.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.326 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.97 136.24 29.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.373 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.427 HD23 ' OE2' ' A' ' 91' ' ' GLU . 0.2 OUTLIER -134.78 108.68 8.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.249 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.8 p -150.18 151.22 32.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.422 1.076 . . . . 0.0 110.056 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 97.23 176.41 34.59 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -50.97 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.498 1.788 . . . . 0.0 111.028 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 58.8 m 61.47 122.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 110.034 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.0 p -82.32 -58.39 2.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.962 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.56 1.163 . . . . 0.0 110.967 -180.0 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.5 p -170.71 146.02 2.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 0.798 . . . . 0.0 109.984 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.85 -59.97 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.948 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.31 150.41 22.13 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 p -161.94 161.17 28.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 0.736 . . . . 0.0 109.976 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.84 163.33 9.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.981 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.96 123.05 2.25 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.451 HD22 HD12 ' A' ' 70' ' ' LEU . 81.8 mt -40.61 -63.69 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 0.787 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.465 ' HD3' ' CB ' ' A' ' 59' ' ' SER . 1.1 ttm180 -41.22 -46.68 3.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.595 1.185 . . . . 0.0 110.398 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -63.96 -47.64 79.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.916 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.6 mt-30 -52.25 -43.38 64.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.501 HG11 ' HB3' ' A' ' 58' ' ' PRO . 48.8 t -75.38 -45.83 39.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.406 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 33.6 mt-10 -51.44 -45.88 62.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.26 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -70.71 -34.73 72.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.381 1.051 . . . . 0.0 110.276 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.823 HD21 HD12 ' A' ' 76' ' ' ILE . 1.1 tp -68.94 -60.08 2.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.477 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.7 m-30 -39.04 -52.57 1.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.406 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 5.5 mt-10 -63.35 -49.16 74.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.583 1.177 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.3 mtt180 -44.18 -62.63 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.564 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 36.6 mmtt -46.47 -58.53 3.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.261 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.681 ' OH ' HD22 ' A' ' 86' ' ' LEU . 34.0 t80 -52.8 -51.84 59.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -57.38 -42.92 83.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -60.14 -42.62 95.26 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.428 1.08 . . . . 0.0 110.348 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.21 -35.81 74.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.237 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.719 HG22 ' CE1' ' A' ' 83' ' ' HIS . 7.5 pt -103.49 13.4 7.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' ALA . 1.4 mmpt? 44.59 62.74 1.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.414 ' HB2' HG13 ' A' ' 24' ' ' ILE . . . -114.76 122.4 46.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.88 28.55 2.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.91 170.5 24.25 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 116.67 4.66 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.446 1.761 . . . . 0.0 110.99 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.457 HG11 HD11 ' A' ' 24' ' ' ILE . 5.3 m -110.81 163.37 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.2 m -103.37 141.81 35.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.477 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 64.9 mt -99.22 117.2 64.44 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.454 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 18.1 Cg_endo -75.02 111.26 3.28 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.563 1.823 . . . . 0.0 111.041 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.731 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 12.3 m-85 -79.6 -36.39 1.06 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.731 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -75.04 -70.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.404 1.739 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 35' ' ' PRO . 33.6 mt -35.47 -51.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.252 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.58 ' CE1' ' HB3' ' A' ' 44' ' ' LEU . 2.7 m-85 -52.92 -51.3 61.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -49.49 -40.31 36.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.58 -30.08 65.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.97 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' PHE . 24.4 m-70 -128.13 71.8 1.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.61 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.3 m -81.3 -9.67 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -93.35 -11.96 31.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 1.076 . . . . 0.0 110.326 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.422 ' HA ' ' HB2' ' A' ' 81' ' ' LYS . 14.3 m-20 -118.93 -50.16 2.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.58 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 49.6 mt -108.37 112.34 24.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.153 . . . . 0.0 109.349 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -167.74 157.21 10.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.744 HG21 ' CE1' ' A' ' 55' ' ' PHE . 27.7 t -98.64 145.0 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.425 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 3.9 mt-10 -132.25 179.66 5.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.174 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.05 1.8 69.73 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.5 1.125 . . . . 0.0 111.083 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.572 HD13 ' O ' ' A' ' 54' ' ' PRO . 50.5 mt -67.16 153.13 95.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.444 0.732 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.92 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -75.0 -179.99 5.53 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.574 1.829 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.26 139.78 37.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.209 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.422 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 69.32 28.87 72.16 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.538 1.149 . . . . 0.0 111.045 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.92 HD12 ' HG2' ' A' ' 50' ' ' PRO . 7.4 mt -150.72 97.3 3.28 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.446 0.733 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.572 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.98 -161.39 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.744 ' CE1' HG21 ' A' ' 46' ' ' VAL . 9.4 t80 -109.34 79.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 57' ' ' ARG . 4.6 mmt-85 -129.9 165.2 22.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 110.354 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 56' ' ' ARG . 10.1 mtm180 -36.71 131.04 0.69 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.262 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.501 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.02 1.42 7.77 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.465 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -97.57 6.86 47.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.963 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.2 p -120.84 -6.3 9.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.429 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 9.6 m-85 -86.5 153.74 21.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.064 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.401 ' C ' ' HD2' ' A' ' 64' ' ' PRO . . . -74.7 164.53 54.61 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.647 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 4.9 mt -56.68 -43.87 99.53 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.53 0.782 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.6 Cg_endo -74.99 -33.44 4.59 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -64.58 -40.39 95.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 110.224 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 75.1 mt -66.23 -53.1 41.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.34 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -39.78 -57.41 1.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.437 1.085 . . . . 0.0 110.284 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.407 ' O ' ' N ' ' A' ' 71' ' ' LEU . 7.5 mtt-85 -50.97 -51.35 53.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.56 HD11 ' CG2' ' A' ' 53' ' ' ILE . 92.3 mt -50.73 -31.3 9.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.916 HD11 ' HB2' ' A' ' 11' ' ' GLN . 38.5 mt -81.98 -29.27 32.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 68' ' ' ARG . 75.1 mt -80.4 -15.88 55.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -103.19 -3.49 25.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.433 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -45.7 -40.18 8.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.236 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -55.96 -30.65 62.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.25 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 72' ' ' ALA . 1.0 OUTLIER -97.32 -36.63 10.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.263 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.823 HD12 HD21 ' A' ' 15' ' ' LEU . 17.3 mt -38.81 144.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 3.8 ttt85 -162.38 145.66 11.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.396 1.06 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.564 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 3.8 m-85 -112.82 111.5 22.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.94 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.47 HG12 ' HD2' ' A' ' 81' ' ' LYS . 18.3 t -92.54 109.75 21.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.458 ' HA ' HD23 ' A' ' 44' ' ' LEU . 7.0 mm -104.18 54.63 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.586 1.179 . . . . 0.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.47 ' HD2' HG12 ' A' ' 79' ' ' VAL . 5.7 mttp -39.63 -59.22 1.16 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.789 ' CB ' HD12 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -94.45 112.98 24.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.719 ' CE1' HG22 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -87.74 -49.59 7.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 109.636 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -50.29 -37.33 35.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.789 HD12 ' CB ' ' A' ' 82' ' ' LYS . 14.5 mt -44.76 -43.42 8.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.681 HD22 ' OH ' ' A' ' 20' ' ' TYR . 14.8 mt -64.44 -61.21 2.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 63.97 91.82 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.27 87.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.976 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.555 ' O ' HG23 ' A' ' 89' ' ' THR . 8.8 t -147.11 58.87 1.17 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.466 1.104 . . . . 0.0 110.499 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.14 125.66 12.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.281 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 179.03 169.96 0.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.28 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -130.87 93.44 3.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.4 tp -172.09 102.96 0.17 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.393 1.058 . . . . 0.0 109.236 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.57 136.27 48.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.025 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 115.24 98.45 2.19 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 164.95 32.3 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.421 1.748 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.2 m -138.15 123.23 19.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.975 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.3 81.63 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.042 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.493 1.121 . . . . 0.0 111.05 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.19 158.07 18.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 0.787 . . . . 0.0 110.01 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -169.01 152.06 5.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.51 166.43 27.47 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.0 p -128.11 169.52 14.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.783 . . . . 0.0 110.048 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.48 -51.58 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 110.002 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.8 162.12 21.7 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.711 HD22 HD12 ' A' ' 70' ' ' LEU . 62.7 mt -41.03 -64.54 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.534 0.785 . . . . 0.0 109.268 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.492 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 1.9 ttm180 -39.15 -55.71 1.59 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.125 . . . . 0.0 110.339 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -54.59 -44.45 73.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.449 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.3 mt-30 -56.75 -48.86 76.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.502 HG11 ' HB3' ' A' ' 58' ' ' PRO . 55.5 t -69.06 -48.95 66.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -46.81 -47.96 20.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.438 1.086 . . . . 0.0 110.363 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -70.9 -40.45 72.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.735 HD21 HD12 ' A' ' 76' ' ' ILE . 1.8 tp -61.1 -59.6 5.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -38.61 -54.48 1.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -61.01 -50.38 73.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.18 -62.26 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.353 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 38.4 mmtt -49.23 -56.89 7.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.591 ' OH ' HD13 ' A' ' 86' ' ' LEU . 58.9 t80 -52.26 -54.3 33.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 111.038 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.644 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -54.69 -41.74 70.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -62.29 -39.32 92.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.39 -19.03 63.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.7 pt -121.04 8.54 6.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 21' ' ' ALA . 5.3 mmtt 52.04 59.31 4.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.644 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -108.69 119.8 40.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.69 29.51 2.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.169 . . . . 0.0 109.244 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.48 170.41 25.11 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 116.74 4.67 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.531 1.806 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.3 m -112.58 165.65 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.349 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.54 162.29 13.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.358 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.8 mt -121.45 115.11 31.34 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.355 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.46 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 18.5 Cg_endo -74.95 116.72 4.67 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.798 . . . . 0.0 111.036 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.751 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 17.7 m-85 -76.62 -33.03 1.11 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.751 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.6 Cg_endo -74.97 -67.16 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.46 ' HB2' ' HB2' ' A' ' 33' ' ' PRO . 81.8 mt -39.02 -45.96 1.29 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -70.82 -40.16 72.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 35' ' ' PRO . 0.6 OUTLIER -65.96 -39.27 90.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.155 . . . . 0.0 110.313 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.96 -27.99 60.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.039 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 18.3 m80 -125.18 70.54 1.17 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.56 1.162 . . . . 0.0 109.584 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.9 m -83.94 -6.18 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -89.74 -22.13 22.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.407 1.067 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.438 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 2.5 m-20 -111.78 -52.53 2.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.604 1.19 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.724 HD13 HD21 ' A' ' 86' ' ' LEU . 62.6 mt -98.67 114.55 27.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.576 1.173 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.501 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 11.6 p90 -161.9 149.84 14.8 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.563 1.165 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.594 HG21 ' CE1' ' A' ' 55' ' ' PHE . 5.2 t -94.25 147.96 5.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -132.38 179.57 6.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 110.31 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.87 1.69 68.33 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 54' ' ' PRO . 62.9 mt -69.32 152.94 96.33 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.604 0.826 . . . . 0.0 109.363 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.942 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.99 175.22 11.52 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.549 1.815 . . . . 0.0 111.028 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.63 140.07 42.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.418 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 69.54 29.2 71.61 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.942 HD12 ' HG2' ' A' ' 50' ' ' PRO . 8.0 mt -150.91 96.25 3.34 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.402 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.94 -160.11 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.494 1.786 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.594 ' CE1' HG21 ' A' ' 46' ' ' VAL . 16.5 t80 -110.98 88.57 2.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.484 ' N ' ' OH ' ' A' ' 61' ' ' TYR . 24.8 mmt-85 -139.11 165.83 26.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.219 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' ARG . 2.8 mtt180 -37.04 125.69 0.81 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.34 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.502 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -75.0 1.37 7.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.538 1.81 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.492 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 9.3 p -93.39 8.01 42.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.001 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.3 p -119.86 -34.78 3.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.074 . . . . 0.0 110.4 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.597 ' HB2' HD21 ' A' ' 66' ' ' LEU . 11.4 m-85 -53.56 158.39 1.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLY . . . . . 0.412 ' C ' ' HD2' ' A' ' 64' ' ' PRO . . . -79.58 164.7 49.22 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.461 1.101 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.656 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 2.3 mp -56.97 -43.44 99.4 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.437 0.728 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.656 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.0 -35.62 3.03 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.512 1.796 . . . . 0.0 111.047 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.602 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -64.15 -39.72 94.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.597 HD21 ' HB2' ' A' ' 61' ' ' TYR . 71.2 mt -65.22 -54.28 31.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -38.79 -57.81 1.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 110.256 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 72' ' ' ALA . 4.1 mtp180 -49.53 -52.22 31.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.233 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.568 HD11 ' CG2' ' A' ' 53' ' ' ILE . 86.6 mt -51.09 -30.86 10.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.711 HD12 HD22 ' A' ' 8' ' ' LEU . 82.5 mt -82.22 -31.4 30.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.9 mt -78.01 -23.89 48.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -95.4 -3.7 46.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.511 ' HB2' HD11 ' A' ' 15' ' ' LEU . 2.0 ptmt -43.27 -42.86 4.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.397 1.061 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -52.56 -36.97 56.89 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.482 ' N ' ' O ' ' A' ' 72' ' ' ALA . 2.3 mtm-85 -90.32 -38.8 13.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.735 HD12 HD21 ' A' ' 15' ' ' LEU . 12.8 mt -37.18 141.84 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 1.9 ttp180 -161.76 144.23 11.76 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 6.4 m-85 -109.48 110.32 21.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.501 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 31.7 t -88.91 136.8 22.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.494 HD13 ' O ' ' A' ' 79' ' ' VAL . 3.6 mm -125.04 77.12 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.438 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -60.03 -43.18 95.5 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.949 ' CB ' HD12 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -114.12 114.7 26.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -84.26 -53.62 5.36 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.439 1.087 . . . . 0.0 109.615 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -44.55 -43.19 7.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.949 HD12 ' CB ' ' A' ' 82' ' ' LYS . 16.3 mt -46.24 -36.59 6.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.08 . . . . 0.0 109.2 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.724 HD21 HD13 ' A' ' 44' ' ' LEU . 23.9 mt -93.92 53.59 1.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -100.37 100.64 11.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.45 48.79 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.579 1.174 . . . . 0.0 110.052 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 16.9 p -95.17 71.37 3.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.404 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.63 136.59 14.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 53.54 94.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 110.256 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -160.78 92.42 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -173.86 153.54 2.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 89.6 p -174.8 132.62 0.34 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 110.053 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -167.55 95.87 0.12 Allowed Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 108.92 2.83 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.462 1.77 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.6 t -179.91 -58.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.954 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.2 p -167.32 142.87 4.08 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.421 1.076 . . . . 0.0 110.006 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.537 1.148 . . . . 0.0 110.955 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.71 112.69 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 0.732 . . . . 0.0 110.02 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.03 -58.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.97 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.86 -71.57 0.3 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.58 1.175 . . . . 0.0 111.047 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.38 156.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 110.017 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m 59.74 101.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.041 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.4 101.44 0.26 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.397 1.061 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.844 HD22 HD12 ' A' ' 70' ' ' LEU . 47.3 mt -40.91 -59.87 1.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 0.799 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.495 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 3.2 ttm180 -43.71 -50.19 7.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -60.94 -47.58 85.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.242 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.595 ' HB2' HD11 ' A' ' 70' ' ' LEU . 3.1 mt-30 -52.84 -41.09 63.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 48.7 t -74.71 -47.07 39.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.402 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 59.2 mt-10 -53.0 -49.76 65.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.336 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -67.87 -37.39 81.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.832 HD21 HD12 ' A' ' 76' ' ' ILE . 0.8 OUTLIER -62.89 -53.49 53.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.435 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 3.4 m-30 -44.44 -58.4 2.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 2.0 mp0 -57.17 -47.51 81.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.41 -62.94 1.14 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.53 1.144 . . . . 0.0 110.238 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.516 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 41.0 mmtt -45.28 -55.82 5.5 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.444 1.09 . . . . 0.0 109.406 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.664 ' OH ' HD22 ' A' ' 86' ' ' LEU . 61.6 t80 -54.65 -54.54 40.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -52.04 -40.77 61.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -63.65 -38.43 91.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.3 -29.87 70.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.6 pt -107.99 6.02 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 21' ' ' ALA . 29.2 mmtt 53.18 60.85 3.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.428 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -112.65 124.47 52.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.593 1.183 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -94.53 28.48 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.388 1.055 . . . . 0.0 109.309 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.1 170.31 25.01 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 117.71 5.0 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 110.966 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.0 m -112.68 164.32 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.6 m -103.51 140.94 36.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 110.393 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.435 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 43.5 mt -93.95 123.06 60.53 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.459 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.5 Cg_endo -74.99 104.23 1.87 Allowed 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.515 1.797 . . . . 0.0 111.089 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.744 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 3.9 m-30 -75.63 -34.84 1.63 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.55 1.156 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.744 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -74.97 -65.58 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.463 1.77 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.487 HD13 ' O ' ' A' ' 85' ' ' LEU . 13.9 mt -40.09 -47.81 2.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.575 ' O ' HG13 ' A' ' 41' ' ' VAL . 3.6 m-85 -58.13 -49.43 77.01 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.57 -43.45 72.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.07 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.32 -33.48 65.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.996 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -123.89 67.97 1.04 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.597 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 37' ' ' PHE . 10.1 m -81.38 -8.61 11.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -94.14 -10.23 33.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.259 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -113.01 -44.06 3.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.698 HD21 ' O ' ' A' ' 82' ' ' LYS . 8.2 mt -116.39 122.24 44.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.65 ' OH ' HG11 ' A' ' 79' ' ' VAL . 31.1 p90 -162.3 153.96 18.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 111.03 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.722 HG21 ' CE1' ' A' ' 55' ' ' PHE . 21.3 t -97.21 133.56 38.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.427 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 3.5 mt-10 -120.55 -179.55 4.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.338 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.46 2.02 67.06 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.553 1.158 . . . . 0.0 111.048 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.4 HD13 ' O ' ' A' ' 54' ' ' PRO . 35.2 mt -68.66 152.55 96.63 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.75 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.913 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.08 -177.44 3.48 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.401 1.737 . . . . 0.0 110.986 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -82.52 138.13 34.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.242 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.409 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 70.2 29.87 70.04 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.413 1.071 . . . . 0.0 110.925 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.913 HD12 ' HG2' ' A' ' 50' ' ' PRO . 8.2 mt -150.29 95.33 3.58 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.4 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.04 -161.96 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.472 1.775 . . . . 0.0 110.997 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.722 ' CE1' HG21 ' A' ' 46' ' ' VAL . 18.4 t80 -109.49 88.34 2.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.47 ' O ' ' C ' ' A' ' 57' ' ' ARG . 17.0 mmt85 -140.21 166.36 24.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.47 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.6 OUTLIER -33.61 120.14 0.48 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.351 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.566 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.96 1.28 7.89 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.454 1.766 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.495 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 1.2 p -96.97 4.5 51.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.006 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.32 -6.02 9.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.431 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.746 ' HB2' HD21 ' A' ' 66' ' ' LEU . 4.9 m-85 -78.65 160.92 27.28 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.461 1.1 . . . . 0.0 111.072 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.0 163.23 52.21 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.648 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 41.2 mt -58.09 -43.87 98.79 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.749 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.01 -33.2 4.75 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.469 1.773 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.487 ' HD3' HG23 ' A' ' 53' ' ' ILE . 2.4 mtt180 -62.83 -42.28 99.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.746 HD21 ' HB2' ' A' ' 61' ' ' TYR . 94.1 mt -65.41 -55.07 20.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -38.02 -55.65 1.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 71' ' ' LEU . 6.3 mtp180 -53.14 -54.14 40.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 110.302 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.474 HD11 ' CG2' ' A' ' 53' ' ' ILE . 93.1 mt -47.35 -34.08 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.844 HD12 HD22 ' A' ' 8' ' ' LEU . 71.3 mt -77.68 -35.48 52.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.418 1.073 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 68' ' ' ARG . 82.2 mt -74.21 -21.22 59.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -97.55 -5.06 36.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.228 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.502 ' HB2' HD11 ' A' ' 15' ' ' LEU . 1.3 ptmt -43.53 -48.9 7.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -48.81 -33.1 9.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 72' ' ' ALA . 1.8 mtm180 -93.15 -38.22 11.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.577 1.173 . . . . 0.0 110.315 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.832 HD12 HD21 ' A' ' 15' ' ' LEU . 14.7 mt -38.62 141.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.442 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 8.4 ttt180 -163.5 144.0 8.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.516 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 7.2 m-85 -108.2 111.7 23.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 111.035 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.65 HG11 ' OH ' ' A' ' 45' ' ' TYR . 24.4 t -91.56 108.69 20.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ILE . . . . . 0.61 HG21 HD11 ' A' ' 86' ' ' LEU . 7.0 mm -101.34 82.49 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -60.89 3.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.855 ' HB2' HD12 ' A' ' 85' ' ' LEU . 4.2 mmtt -101.7 118.57 37.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.11 -53.93 5.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.543 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -47.63 -39.0 15.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 0.0 110.361 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.855 HD12 ' HB2' ' A' ' 82' ' ' LYS . 14.0 mt -48.71 -40.54 28.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.664 HD22 ' OH ' ' A' ' 20' ' ' TYR . 22.8 mt -55.29 -38.09 68.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -74.91 130.26 39.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.368 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 89' ' ' THR . 0.2 OUTLIER -171.27 104.79 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.946 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 89' ' ' THR . . . . . 0.426 ' C ' ' N ' ' A' ' 91' ' ' GLU . 6.2 t 38.16 53.15 1.66 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.431 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -40.45 -28.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 89' ' ' THR . 0.4 OUTLIER -104.96 104.06 13.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 110.337 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -146.71 144.86 29.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.583 1.177 . . . . 0.0 109.269 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 93' ' ' LEU . 0.7 OUTLIER -159.53 83.63 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.261 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.5 t -149.21 129.5 13.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.575 1.172 . . . . 0.0 109.975 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -44.86 108.46 0.2 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.581 1.175 . . . . 0.0 111.06 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 111.9 3.43 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.473 1.775 . . . . 0.0 111.015 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.37 83.16 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.957 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.6 p -108.93 155.49 20.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.019 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.56 1.162 . . . . 0.0 111.014 179.95 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 t -119.21 102.9 9.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 109.977 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.0 p -96.25 123.28 39.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.02 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.02 -116.45 1.16 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.525 1.14 . . . . 0.0 110.993 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m 63.29 111.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 0.803 . . . . 0.0 110.058 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m 63.32 148.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.77 97.13 0.26 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' LEU . . . . . 0.563 ' CD2' HD12 ' A' ' 70' ' ' LEU . 19.5 mt -45.45 -60.84 1.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.741 . . . . 0.0 109.215 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.476 ' HD3' ' CB ' ' A' ' 59' ' ' SER . 1.1 ttm180 -41.2 -44.94 2.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.302 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.9 tptp -64.72 -44.23 90.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.382 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLN . . . . . 0.562 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.7 mt-30 -56.61 -44.82 81.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 110.275 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.447 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 46.6 t -74.75 -42.34 47.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' GLU . . . . . 0.42 ' CG ' ' HG2' ' A' ' 58' ' ' PRO . 59.6 mt-10 -55.98 -49.01 74.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -69.61 -40.53 76.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.181 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.756 HD21 HD12 ' A' ' 76' ' ' ILE . 7.1 tp -60.06 -50.2 74.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.483 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.5 m-30 -48.24 -63.1 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . 0.4 ' N ' HD11 ' A' ' 32' ' ' ILE . 2.4 mt-10 -49.74 -49.0 49.75 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.556 1.16 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.08 -66.68 0.35 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . 0.47 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 35.7 mmtt -41.88 -60.56 1.35 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' TYR . . . . . 0.593 ' OH ' HD22 ' A' ' 86' ' ' LEU . 50.7 t80 -49.96 -49.43 50.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.474 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -59.36 -40.44 86.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -60.51 -44.27 96.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.97 -31.04 66.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ILE . . . . . 0.764 HG22 ' NE2' ' A' ' 83' ' ' HIS . 3.9 pt -110.03 16.11 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.31 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' ALA . 6.2 mtmt 40.7 60.67 1.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ALA . . . . . 0.494 ' HB2' HG13 ' A' ' 24' ' ' ILE . . . -106.6 121.72 44.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -93.83 29.65 2.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -143.25 170.05 25.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.581 1.176 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 116.82 4.71 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 0.0 111.024 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.5 m -112.14 164.41 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 98.2 m -103.34 144.55 31.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.397 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.483 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 21.4 mt -98.31 120.43 59.55 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.454 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.3 Cg_endo -74.97 107.3 2.45 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.522 1.801 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' TYR . . . . . 0.715 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 11.8 m-85 -80.02 -37.08 1.06 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PRO . . . . . 0.715 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.5 Cg_endo -75.01 -69.45 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.528 1.804 . . . . 0.0 111.011 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 35' ' ' PRO . 34.3 mt -35.59 -51.9 0.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.244 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' A' ' 44' ' ' LEU . 2.1 m-85 -52.04 -51.31 58.31 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 35' ' ' PRO . 6.1 mm-40 -54.01 -37.45 64.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.26 -32.66 63.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.02 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' HIS . . . . . 0.488 ' NE2' HD22 ' A' ' 85' ' ' LEU . 32.5 m-70 -127.13 67.69 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.611 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 37' ' ' PHE . 11.9 m -79.81 -11.28 12.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -85.3 -13.8 48.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.33 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . 0.462 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 8.5 m-20 -116.45 -59.64 1.95 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.229 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LEU . . . . . 0.906 HD21 ' O ' ' A' ' 82' ' ' LYS . 10.9 mt -93.85 123.59 37.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' TYR . . . . . 0.859 ' OH ' HG11 ' A' ' 79' ' ' VAL . 43.0 p90 -169.76 157.04 6.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' VAL . . . . . 0.871 HG21 ' CE1' ' A' ' 55' ' ' PHE . 55.5 t -102.22 138.53 26.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 8.4 mt-10 -127.49 -178.04 4.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.347 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.92 1.6 68.3 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.4 HD13 ' O ' ' A' ' 54' ' ' PRO . 65.5 mt -68.14 156.36 90.05 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.941 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.0 Cg_endo -75.04 -169.29 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 110.97 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -89.19 137.38 32.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.264 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' GLY . . . . . 0.4 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 69.55 31.84 71.03 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.425 1.078 . . . . 0.0 110.913 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ILE . . . . . 0.941 HD12 ' HG2' ' A' ' 50' ' ' PRO . 11.1 mt -150.42 97.09 3.36 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.455 0.738 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PRO . . . . . 0.4 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.98 -163.36 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.475 1.776 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PHE . . . . . 0.871 ' CE1' HG21 ' A' ' 46' ' ' VAL . 13.5 t80 -109.24 80.41 1.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.098 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 57' ' ' ARG . 29.2 mmt-85 -130.22 165.43 22.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.502 ' O ' HG22 ' A' ' 60' ' ' THR . 5.7 mtt180 -38.72 124.84 1.18 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PRO . . . . . 0.602 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.02 3.67 5.43 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.53 1.805 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' SER . . . . . 0.476 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 5.1 p -94.38 8.51 41.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' THR . . . . . 0.502 HG22 ' O ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -132.9 7.31 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.415 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' TYR . . . . . 0.602 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 3.1 m-30 -91.18 156.84 17.56 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.17 163.16 54.89 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.491 1.12 . . . . 0.0 111.049 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ILE . . . . . 0.64 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 5.1 mt -57.46 -44.24 99.46 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.525 0.78 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.5 Cg_endo -74.88 -33.74 4.52 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.502 1.79 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ARG . . . . . 0.686 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.4 OUTLIER -62.49 -38.78 91.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.247 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 82.1 mt -70.14 -48.95 55.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -48.06 -62.4 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.319 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' ARG . . . . . 0.642 ' HD3' HD11 ' A' ' 53' ' ' ILE . 0.0 OUTLIER -42.66 -56.03 3.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.259 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.731 HG23 HD11 ' A' ' 76' ' ' ILE . 77.8 mt -46.26 -46.75 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.349 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' LEU . . . . . 0.563 HD12 ' CD2' ' A' ' 8' ' ' LEU . 85.5 mt -61.83 -34.43 75.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' ARG . 28.7 mt -80.24 -15.48 56.89 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 72' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -100.96 -8.57 22.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LYS . . . . . 0.559 ' HB2' HD11 ' A' ' 15' ' ' LEU . 2.0 ptmt -42.37 -51.59 4.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.232 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -45.53 -32.72 2.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 110.325 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 72' ' ' ALA . 6.6 mtt180 -93.72 -39.09 10.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.756 HD12 HD21 ' A' ' 15' ' ' LEU . 25.3 mt -38.65 143.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 1.4 ttt-85 -160.82 145.53 14.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' PHE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 5.3 m-85 -112.28 113.84 26.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' VAL . . . . . 0.859 HG11 ' OH ' ' A' ' 45' ' ' TYR . 21.2 t -94.34 103.47 14.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 0.0 109.378 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.0 mm -95.11 63.54 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LYS . . . . . 0.462 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 6.0 mttt -46.0 -60.77 2.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.239 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' LYS . . . . . 0.906 ' O ' HD21 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -100.21 115.07 29.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.451 1.095 . . . . 0.0 109.35 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.764 ' NE2' HG22 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -86.76 -49.79 7.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.56 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLU . . . . . 0.415 ' C ' ' N ' ' A' ' 86' ' ' LEU . 10.2 pt-20 -48.88 -43.81 39.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.766 HD12 ' CB ' ' A' ' 82' ' ' LYS . 12.6 mt -43.72 -27.67 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' LEU . . . . . 0.593 HD22 ' OH ' ' A' ' 20' ' ' TYR . 22.2 mt -68.15 -59.93 2.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 42.38 85.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.35 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.6 t -159.85 163.79 34.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 81.0 p -126.86 -42.87 1.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.415 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? 48.56 86.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.075 . . . . 0.0 110.273 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -109.27 136.55 48.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -166.13 139.75 4.23 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.445 1.091 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -161.14 152.8 19.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.1 m 64.25 123.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.034 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -129.54 100.17 0.49 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.452 1.095 . . . . 0.0 110.965 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 106.79 2.34 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.438 1.757 . . . . 0.0 111.026 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.41 122.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.965 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.0 t -141.21 -58.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.049 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.926 0 O-C-N 124.485 1.116 . . . . 0.0 111.032 -179.981 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.526 HD22 HD12 ' A' ' 70' ' ' LEU . 24.6 mt . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.48 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 2.3 ttm180 -40.61 -57.64 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.342 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.16 -45.1 68.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.636 ' HB2' HD11 ' A' ' 70' ' ' LEU . 3.9 mt-30 -55.45 -48.1 75.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.457 HG21 HD22 ' A' ' 66' ' ' LEU . 51.2 t -70.69 -46.14 70.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.415 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 31.9 mt-10 -49.61 -48.41 49.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.451 1.095 . . . . 0.0 110.28 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -70.1 -34.63 73.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.87 HD21 HD12 ' A' ' 76' ' ' ILE . 3.5 tp -66.88 -58.63 4.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.348 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.451 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.6 m-30 -42.17 -57.04 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.415 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 4.2 mt-10 -60.15 -46.55 89.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -47.25 -63.46 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.519 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 33.8 mmtt -47.77 -54.14 13.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -54.55 -49.69 69.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 110.997 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.549 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -57.02 -39.53 74.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -61.25 -44.42 97.27 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.453 1.096 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.51 -19.37 36.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.527 HG13 ' HB2' ' A' ' 26' ' ' ALA . 4.4 pt -123.14 16.52 5.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 21' ' ' ALA . 4.3 mttm 41.36 58.57 2.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.549 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -106.03 121.05 43.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.58 1.175 . . . . 0.0 109.28 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.83 19.42 8.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -131.13 170.22 21.43 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.563 1.165 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 117.24 4.85 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.449 1.763 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.9 m -111.45 159.99 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.266 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.9 m -103.75 140.27 37.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.376 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 57.2 mt -97.83 114.22 64.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 114.11 3.95 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.719 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 12.0 m-85 -72.08 -36.18 3.96 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.608 1.193 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.719 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.2 Cg_endo -75.03 -63.42 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.525 1.802 . . . . 0.0 110.962 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 34.3 mt -40.48 -38.67 0.88 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.443 ' O ' HG13 ' A' ' 41' ' ' VAL . 8.5 m-85 -79.78 -39.77 30.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 35' ' ' PRO . 1.8 tt0 -65.46 -45.28 84.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.04 -27.78 64.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.056 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -128.21 72.2 1.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.675 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 37' ' ' PHE . 6.8 m -85.64 -9.53 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -89.59 -1.12 57.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.45 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 18.8 m-20 -129.18 -53.48 1.19 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.866 HD21 ' O ' ' A' ' 82' ' ' LYS . 12.5 mt -104.95 112.27 25.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.26 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.558 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 19.2 p90 -155.47 152.98 29.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.732 HG21 ' CE1' ' A' ' 55' ' ' PHE . 5.6 t -96.05 141.42 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.238 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 14.8 mt-10 -128.29 177.9 6.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.26 1.51 75.29 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 49.5 mt -68.94 154.79 94.6 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.557 0.798 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.957 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.94 -173.45 1.57 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.426 1.75 . . . . 0.0 111.041 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -86.46 139.65 30.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 110.334 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.413 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 69.95 29.29 70.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.957 HD12 ' HG2' ' A' ' 50' ' ' PRO . 7.6 mt -150.27 95.67 3.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -160.71 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.777 . . . . 0.0 110.939 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.732 ' CE1' HG21 ' A' ' 46' ' ' VAL . 18.9 t80 -109.66 91.52 3.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.444 ' N ' ' OH ' ' A' ' 61' ' ' TYR . 82.6 mmt-85 -143.53 165.78 26.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.282 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -37.89 125.51 0.99 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 110.254 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.553 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.99 1.56 7.6 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.472 1.775 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.48 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 84.0 p -88.73 8.52 28.38 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.509 1.131 . . . . 0.0 110.047 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.6 p -121.67 -40.38 2.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.434 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.553 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 13.4 m-85 -45.81 150.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.407 ' C ' ' HD2' ' A' ' 64' ' ' PRO . . . -74.06 164.1 54.67 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.647 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.4 mp -56.19 -44.0 99.51 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.549 0.794 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.95 -31.85 5.96 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.479 1.778 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -39.05 91.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.253 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.457 HD22 HG21 ' A' ' 12' ' ' VAL . 56.8 mt -66.32 -54.15 28.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -39.63 -54.93 1.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.266 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.484 ' HD3' HD11 ' A' ' 53' ' ' ILE . 5.2 mtp180 -52.75 -52.97 54.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.569 HD11 ' CG2' ' A' ' 53' ' ' ILE . 86.9 mt -49.88 -34.84 9.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.636 HD11 ' HB2' ' A' ' 11' ' ' GLN . 69.7 mt -77.46 -28.25 52.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 68' ' ' ARG . 66.5 mt -80.49 -16.68 53.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -103.84 -3.37 24.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.438 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -45.82 -40.22 9.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -56.47 -31.0 63.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 72' ' ' ALA . 2.1 mmm180 -96.83 -36.8 10.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.87 HD12 HD21 ' A' ' 15' ' ' LEU . 17.5 mt -38.68 142.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -161.63 148.33 14.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.327 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.519 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 8.5 m-85 -114.31 113.27 24.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.558 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 36.8 t -95.52 115.72 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.414 HD13 ' C ' ' A' ' 79' ' ' VAL . 10.7 mm -105.03 73.38 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.495 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -53.88 -60.31 3.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.371 1.044 . . . . 0.0 109.262 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.866 ' O ' HD21 ' A' ' 44' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.625 HD22 HD12 ' A' ' 70' ' ' LEU . 32.1 mt . . . . . 0 N--CA 1.453 -0.302 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.477 ' HD3' ' CB ' ' A' ' 59' ' ' SER . 1.1 ttm180 -47.2 -54.02 11.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.267 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -55.34 -41.93 73.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.632 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.6 mt-30 -59.1 -50.6 73.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.34 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.484 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 52.7 t -68.18 -42.36 84.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -51.26 -53.1 38.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -67.71 -40.13 84.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.273 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.706 HD21 HD12 ' A' ' 76' ' ' ILE . 2.1 tp -60.92 -58.08 9.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.621 1.201 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.485 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 1.9 m-30 -40.58 -57.5 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -55.21 -50.58 69.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.145 . . . . 0.0 110.33 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.66 -68.28 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.564 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 53.3 mmtt -40.51 -60.99 0.99 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 43.8 t80 -51.81 -49.64 62.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.072 . . . . 0.0 111.02 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -58.88 -39.53 81.71 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -65.59 -40.8 93.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.39 -17.86 60.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.417 HG13 ' HB2' ' A' ' 26' ' ' ALA . 4.6 pt -122.62 10.54 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 21' ' ' ALA . 2.2 mtmp? 46.35 62.57 2.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -112.59 122.72 48.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.247 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.46 24.32 4.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -136.21 170.22 23.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 116.87 4.72 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.395 1.734 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.9 m -111.17 165.12 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 95.6 m -103.37 145.54 29.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 110.383 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.485 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 38.3 mt -101.98 119.79 55.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.364 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.482 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.2 Cg_endo -74.98 107.83 2.58 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.446 1.761 . . . . 0.0 111.008 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.706 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 6.9 m-85 -80.45 -37.76 1.05 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 110.942 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.706 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.5 Cg_endo -74.95 -68.68 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.424 1.749 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.453 ' HB2' ' HB2' ' A' ' 33' ' ' PRO . 41.5 mt -36.04 -51.24 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.367 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 2.0 m-85 -52.26 -50.77 61.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 35' ' ' PRO . 3.3 mm-40 -50.69 -37.26 40.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.23 -28.52 57.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.966 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 37.8 m-70 -129.37 68.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.602 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.2 m -81.51 -11.91 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -79.14 -36.62 40.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.477 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 0.5 OUTLIER -102.7 -55.43 2.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.4 mt -90.42 111.56 22.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.357 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.858 ' OH ' HG11 ' A' ' 79' ' ' VAL . 47.8 p90 -166.41 162.99 17.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 110.99 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.693 HG21 ' CE1' ' A' ' 55' ' ' PHE . 24.7 t -105.84 150.21 8.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 10.1 mt-10 -137.82 179.56 6.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.26 1.81 70.92 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.425 HD13 ' O ' ' A' ' 54' ' ' PRO . 73.1 mt -70.18 153.79 95.01 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 109.238 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.92 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.1 Cg_endo -75.01 178.58 7.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.527 1.804 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.03 138.66 38.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.405 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 70.14 29.59 70.36 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.92 HD12 ' HG2' ' A' ' 50' ' ' PRO . 10.5 mt -150.68 95.92 3.42 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.448 0.734 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.425 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.95 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.514 1.797 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.693 ' CE1' HG21 ' A' ' 46' ' ' VAL . 10.7 t80 -109.32 85.42 2.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 57' ' ' ARG . 76.5 mmt-85 -135.71 165.52 25.38 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.539 1.15 . . . . 0.0 110.308 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' ARG . 1.0 OUTLIER -36.94 127.71 0.76 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.413 1.07 . . . . 0.0 110.289 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.484 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.98 0.69 8.6 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.524 1.802 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.477 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -96.33 9.0 42.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 60' ' ' THR . 0.5 OUTLIER -128.47 4.71 5.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.39 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.637 ' HB2' HD21 ' A' ' 66' ' ' LEU . 4.9 m-85 -93.54 156.78 16.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.58 163.5 53.7 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.533 1.145 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.638 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 7.4 mt -57.0 -44.44 99.79 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.437 0.728 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.0 -32.82 5.05 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.525 1.803 . . . . 0.0 111.04 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.408 ' HD3' HG23 ' A' ' 53' ' ' ILE . 1.5 mtt180 -65.01 -39.5 93.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.27 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.637 HD21 ' HB2' ' A' ' 61' ' ' TYR . 85.3 mt -68.18 -50.94 51.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.244 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.454 ' HG2' HD21 ' A' ' 8' ' ' LEU . 0.8 OUTLIER -42.1 -60.52 1.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 72' ' ' ALA . 4.5 mtp180 -47.07 -53.04 13.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.549 ' O ' HD11 ' A' ' 76' ' ' ILE . 87.7 mt -48.93 -33.61 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.632 HD11 ' HB2' ' A' ' 11' ' ' GLN . 76.7 mt -80.59 -32.05 36.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 68' ' ' ARG . 36.1 mt -78.96 -14.86 58.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -105.6 -2.88 22.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.554 ' HB2' HD11 ' A' ' 15' ' ' LEU . 1.7 ptmt -44.08 -46.67 8.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -50.42 -32.48 17.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 72' ' ' ALA . 3.2 mtm180 -94.27 -39.18 10.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.071 . . . . 0.0 110.342 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.706 HD12 HD21 ' A' ' 15' ' ' LEU . 17.9 mt -37.98 143.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -161.09 146.2 14.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.285 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.564 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 3.0 m-85 -112.0 107.5 16.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.926 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.858 HG11 ' OH ' ' A' ' 45' ' ' TYR . 41.4 t -85.15 117.5 30.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.9 mm -112.26 65.95 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.373 1.046 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.477 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 5.0 mttt -54.05 -53.1 57.68 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.354 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.578 HD22 HD12 ' A' ' 70' ' ' LEU . 30.6 mt . . . . . 0 N--CA 1.453 -0.285 0 N-CA-C 109.245 -0.65 . . . . 0.0 109.245 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.446 ' HD3' ' CB ' ' A' ' 59' ' ' SER . 0.7 OUTLIER -38.0 -56.06 1.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 110.214 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -55.41 -48.34 74.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.257 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.596 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.5 mt-30 -53.16 -55.86 20.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.5 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 54.0 t -62.41 -43.07 97.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -49.66 -56.99 8.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.247 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.64 -36.58 81.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.808 HD21 HD12 ' A' ' 76' ' ' ILE . 1.7 tp -64.94 -63.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.404 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 3.1 m-30 -38.22 -56.5 1.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.62 -45.47 92.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.406 1.066 . . . . 0.0 110.244 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.9 mtt-85 -48.44 -62.45 1.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 110.347 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.513 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 27.2 mmtt -47.08 -55.97 7.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 57.4 t80 -53.74 -49.33 68.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.712 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -58.04 -40.82 81.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -59.2 -44.03 92.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 110.342 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.03 -26.45 62.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.236 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.514 HG13 ' HB2' ' A' ' 26' ' ' ALA . 4.1 pt -114.9 16.03 7.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 21' ' ' ALA . 4.7 mttp 42.74 57.16 3.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.712 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -101.4 125.22 48.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -98.32 27.37 4.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.9 170.69 25.16 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 116.79 4.69 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.564 1.823 . . . . 0.0 111.016 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.7 m -111.34 162.53 8.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.233 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 94.1 m -104.1 143.66 32.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.404 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.404 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 66.0 mt -100.3 113.03 65.25 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.349 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.431 ' CB ' HD12 ' A' ' 36' ' ' LEU . 18.4 Cg_endo -74.95 114.35 4.01 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.725 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 17.5 m-85 -73.21 -35.84 2.94 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.725 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.4 Cg_endo -74.86 -58.7 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.51 1.794 . . . . 0.0 111.067 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.431 HD12 ' CB ' ' A' ' 33' ' ' PRO . 26.9 mt -45.51 -40.28 8.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.514 ' O ' HG13 ' A' ' 41' ' ' VAL . 8.9 m-85 -78.11 -31.01 49.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.418 ' HB3' ' HA ' ' A' ' 35' ' ' PRO . 41.4 tp60 -69.85 -49.35 53.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.143 . . . . 0.0 110.251 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.63 -29.87 68.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.409 1.068 . . . . 0.0 110.052 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -123.32 76.2 1.37 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.071 . . . . 0.0 109.554 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.514 HG13 ' O ' ' A' ' 37' ' ' PHE . 3.5 m -90.59 -14.48 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -84.27 -5.88 59.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.62 -58.43 1.59 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.623 HD21 ' O ' ' A' ' 82' ' ' LYS . 27.0 mt -98.88 117.33 33.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.406 1.066 . . . . 0.0 109.363 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.845 ' OH ' HG11 ' A' ' 79' ' ' VAL . 40.4 p90 -160.64 155.88 24.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.773 HG21 ' CE1' ' A' ' 55' ' ' PHE . 15.4 t -100.82 142.89 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 9.1 mt-10 -131.38 -179.96 5.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.316 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.8 1.83 68.44 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.2 mt -70.46 152.95 95.35 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.555 0.797 . . . . 0.0 109.35 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.911 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.02 177.16 8.96 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.556 1.819 . . . . 0.0 111.017 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.0 141.21 40.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.411 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 68.44 29.27 72.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.911 HD12 ' HG2' ' A' ' 50' ' ' PRO . 8.7 mt -150.7 96.41 3.37 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.574 0.808 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.04 -162.85 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.486 1.782 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.773 ' CE1' HG21 ' A' ' 46' ' ' VAL . 9.1 t80 -107.54 84.06 1.9 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.436 ' N ' ' OH ' ' A' ' 61' ' ' TYR . 0.8 OUTLIER -134.56 165.14 25.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' ARG . 6.2 mtt180 -37.92 133.42 0.88 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.5 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.97 1.92 7.19 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.472 1.775 . . . . 0.0 111.038 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.446 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -97.23 8.37 44.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.987 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 19.0 p -125.7 5.36 7.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 110.382 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.436 ' OH ' ' N ' ' A' ' 56' ' ' ARG . 8.6 m-85 -99.13 148.5 24.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.05 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.404 ' C ' ' HD2' ' A' ' 64' ' ' PRO . . . -68.34 164.14 48.1 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.113 . . . . 0.0 111.072 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.644 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 29.4 mt -55.58 -44.19 99.53 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.532 0.784 . . . . 0.0 109.307 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.98 -33.12 4.85 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.48 1.779 . . . . 0.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.412 ' HD3' HG23 ' A' ' 53' ' ' ILE . 3.1 mtt180 -61.82 -43.63 98.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' A' ' 61' ' ' TYR . 87.0 mt -64.64 -52.97 54.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -40.41 -60.09 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.456 ' HD3' HD11 ' A' ' 53' ' ' ILE . 4.5 mtp180 -48.36 -52.3 22.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.267 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.536 ' O ' HD11 ' A' ' 76' ' ' ILE . 95.5 mt -49.71 -34.31 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.596 HD11 ' HB2' ' A' ' 11' ' ' GLN . 81.2 mt -78.23 -33.87 49.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 32.1 mt -76.34 -22.61 54.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . -95.45 -3.34 47.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.252 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.444 ' HB2' HD11 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -47.34 -44.0 23.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -54.26 -18.92 4.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 72' ' ' ALA . 20.0 mmt180 -109.61 -37.41 5.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.328 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.808 HD12 HD21 ' A' ' 15' ' ' LEU . 20.8 mt -39.12 143.9 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -161.69 147.74 13.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.337 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.513 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 8.2 m-85 -115.3 105.71 13.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.127 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.845 HG11 ' OH ' ' A' ' 45' ' ' TYR . 21.8 t -84.23 126.12 40.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.441 HG23 HD22 ' A' ' 44' ' ' LEU . 4.6 mm -118.05 87.85 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -55.99 8.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.623 ' O ' HD21 ' A' ' 44' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.323 -0.544 0 O-C-N 124.504 1.128 . . . . 0.0 109.368 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.709 HD22 HD12 ' A' ' 70' ' ' LEU . 52.9 mt . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.482 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 2.2 ttm180 -45.57 -57.85 3.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -52.05 -44.05 64.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -56.38 -49.67 73.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 110.298 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 51.1 t -68.51 -45.06 82.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -50.45 -51.91 42.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -68.74 -40.19 79.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.584 HD21 HD12 ' A' ' 76' ' ' ILE . 1.2 tp -60.27 -56.94 15.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.465 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 1.8 m-30 -41.24 -56.96 2.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 111.031 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -57.09 -49.96 74.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -42.17 -63.43 0.75 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.468 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 46.0 mmtt -45.87 -57.89 3.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -52.76 -46.83 67.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.404 1.065 . . . . 0.0 110.987 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.527 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -60.52 -39.04 86.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.362 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -62.47 -44.03 97.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.345 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.51 -18.12 37.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.503 HG13 ' HB2' ' A' ' 26' ' ' ALA . 3.5 pt -123.14 15.05 5.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.373 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 21' ' ' ALA . 5.1 mttt 42.83 58.87 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.527 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -107.79 125.16 51.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -96.39 13.29 28.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -124.77 170.47 16.79 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.485 1.116 . . . . 0.0 111.028 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 117.17 4.81 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.386 1.73 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.4 m -110.96 163.18 7.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.573 1.171 . . . . 0.0 109.274 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 65.6 m -103.45 141.99 35.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.481 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 67.1 mt -96.95 119.79 62.81 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.385 1.053 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.435 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.4 Cg_endo -75.02 106.74 2.33 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.504 1.791 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.717 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 7.9 m-85 -76.59 -37.21 1.87 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.581 1.176 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.717 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.4 Cg_endo -75.02 -65.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.789 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.433 ' O ' ' CD2' ' A' ' 40' ' ' HIS . 10.2 mt -38.05 -48.47 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.554 ' O ' HG13 ' A' ' 41' ' ' VAL . 3.5 m-85 -59.97 -47.33 86.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 111.029 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 35' ' ' PRO . 1.7 mm-40 -54.28 -38.31 65.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.35 -16.89 35.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.041 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.433 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 54.1 m-70 -130.02 63.19 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.596 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.554 HG13 ' O ' ' A' ' 37' ' ' PHE . 13.8 m -85.26 -12.36 11.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -84.97 -13.94 49.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.331 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.486 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 19.1 m-20 -125.18 -53.45 1.62 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.53 1.144 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.5 mt -96.25 112.74 24.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.741 ' OH ' HG11 ' A' ' 79' ' ' VAL . 46.2 p90 -163.26 162.88 25.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.813 HG21 ' CE1' ' A' ' 55' ' ' PHE . 31.9 t -106.91 140.97 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 8.9 mt-10 -129.01 -178.74 4.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.332 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.39 1.6 70.84 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.548 1.155 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.474 HD13 ' O ' ' A' ' 54' ' ' PRO . 72.3 mt -70.05 156.18 92.24 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.928 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.5 Cg_endo -74.96 -177.86 3.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.436 1.756 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -81.12 137.73 35.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.13 30.4 69.76 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.56 1.162 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.928 HD12 ' HG2' ' A' ' 50' ' ' PRO . 10.8 mt -150.49 95.38 3.53 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.777 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.474 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.6 Cg_endo -74.94 -161.47 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.545 1.813 . . . . 0.0 111.087 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.813 ' CE1' HG21 ' A' ' 46' ' ' VAL . 17.6 t80 -109.57 89.31 2.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 57' ' ' ARG . 25.6 mmt85 -139.94 166.1 25.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -36.07 125.36 0.69 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.515 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.03 1.13 8.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.482 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 54.2 p -95.56 3.89 53.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 110.002 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.48 -9.2 9.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.413 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.699 ' HB2' HD21 ' A' ' 66' ' ' LEU . 6.4 m-85 -79.11 157.94 27.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.07 163.75 52.42 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.564 1.165 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.651 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 62.7 mt -57.78 -43.6 98.81 Favored Pre-proline 0 C--N 1.327 -0.413 0 O-C-N 124.462 0.742 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -75.02 -32.51 5.29 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.457 1.767 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.06 -41.75 94.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.237 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.699 HD21 ' HB2' ' A' ' 61' ' ' TYR . 96.1 mt -65.25 -50.71 64.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -41.89 -59.63 1.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 72' ' ' ALA . 2.7 mtt-85 -49.19 -50.45 37.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.529 HG23 HD11 ' A' ' 76' ' ' ILE . 92.9 mt -52.38 -32.98 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.709 HD12 HD22 ' A' ' 8' ' ' LEU . 80.3 mt -79.15 -28.27 42.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.6 mt -84.95 -13.2 51.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -104.44 -4.64 22.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.613 1.196 . . . . 0.0 109.348 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.55 ' HB2' HD11 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -44.81 -43.91 9.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.401 1.063 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -52.86 -31.27 38.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 72' ' ' ALA . 2.4 mtt180 -95.97 -38.86 10.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.584 HD12 HD21 ' A' ' 15' ' ' LEU . 20.1 mt -37.74 142.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 10.0 ttt180 -160.55 145.63 14.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 5.5 m-85 -112.34 109.74 19.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 110.94 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.741 HG11 ' OH ' ' A' ' 45' ' ' TYR . 30.7 t -88.35 119.78 36.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.405 1.066 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.5 mm -109.4 60.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.486 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 6.5 mttt -44.7 -57.8 3.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.408 1.067 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.336 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.621 HD22 HD12 ' A' ' 70' ' ' LEU . 43.0 mt . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.48 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 0.2 OUTLIER -42.65 -53.61 4.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -55.83 -43.74 77.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.615 ' HB2' HD11 ' A' ' 70' ' ' LEU . 3.2 mt-30 -57.02 -51.92 67.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.231 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 49.2 t -67.04 -41.89 87.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -53.28 -54.18 40.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.66 -36.49 82.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.758 HD21 HD12 ' A' ' 76' ' ' ILE . 1.0 OUTLIER -64.11 -58.53 6.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.472 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.0 m-30 -40.72 -53.89 2.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.64 -50.24 74.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.26 -62.82 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.277 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.443 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 37.9 mmtt -47.96 -54.61 12.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.346 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 37.9 t80 -54.97 -45.75 75.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.98 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.531 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -60.88 -38.75 86.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -60.75 -45.39 94.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.437 1.085 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.69 -22.73 47.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.548 HG13 ' HB2' ' A' ' 26' ' ' ALA . 3.8 pt -119.69 18.21 6.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.14 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 21' ' ' ALA . 2.2 mtmm 39.14 59.62 1.64 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.548 ' HB2' HG13 ' A' ' 24' ' ' ILE . . . -107.06 122.72 47.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -93.91 27.95 2.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.42 170.52 25.05 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 . 005 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 117.12 4.8 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.778 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.49 HG11 HD11 ' A' ' 24' ' ' ILE . 5.8 m -109.03 166.42 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 95.1 m -103.56 144.21 31.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.376 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.472 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 64.5 mt -104.31 112.08 65.34 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.368 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.462 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 18.3 Cg_endo -74.93 116.85 4.72 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.507 1.793 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.74 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 13.4 m-85 -76.66 -33.96 1.25 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.589 1.181 . . . . 0.0 111.084 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.74 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -75.05 -69.23 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.992 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.462 ' HB2' ' HB2' ' A' ' 33' ' ' PRO . 63.8 mt -36.93 -46.62 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.452 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 8.1 m-85 -66.98 -45.96 76.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 35' ' ' PRO . 2.7 tt0 -63.86 -32.01 73.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.325 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 t -75.2 -35.71 61.48 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 38.1 m-70 -118.54 63.69 0.77 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.573 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.402 HG22 ' H ' ' A' ' 41' ' ' VAL . 6.6 m -74.34 -9.51 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -91.3 -13.51 32.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.436 1.085 . . . . 0.0 110.378 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.433 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 1.0 OUTLIER -119.92 -58.34 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.875 HD21 ' O ' ' A' ' 82' ' ' LYS . 11.9 mt -95.62 117.37 30.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.567 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 24.2 p90 -163.29 152.65 14.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.652 HG21 ' CE1' ' A' ' 55' ' ' PHE . 7.3 t -93.88 148.27 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 5.3 mt-10 -134.56 178.08 7.27 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.434 1.084 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.97 1.37 67.78 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.414 1.072 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 45.8 mt -68.94 152.3 96.87 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.559 0.799 . . . . 0.0 109.283 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.958 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.01 -177.55 3.55 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.537 1.809 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.89 139.87 33.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.424 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 70.32 29.09 70.49 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.541 1.151 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.958 HD12 ' HG2' ' A' ' 50' ' ' PRO . 6.8 mt -150.65 96.49 3.37 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -160.41 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.459 1.768 . . . . 0.0 111.055 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.652 ' CE1' HG21 ' A' ' 46' ' ' VAL . 15.2 t80 -110.19 87.28 2.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 111.053 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 57' ' ' ARG . 11.9 mmt-85 -139.01 165.62 26.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 56' ' ' ARG . 60.2 mtt180 -37.74 125.59 0.96 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.133 . . . . 0.0 110.265 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.567 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.01 1.87 7.26 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.536 1.808 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.48 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 81.4 p -88.45 8.68 26.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.43 1.081 . . . . 0.0 109.995 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.7 p -122.01 -42.39 2.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.397 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.567 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 13.5 m-85 -42.88 146.19 0.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.408 ' C ' ' HD2' ' A' ' 64' ' ' PRO . . . -71.56 164.48 53.99 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.476 1.11 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.635 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 32.5 mt -54.98 -44.39 99.55 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.537 0.786 . . . . 0.0 109.379 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.08 -32.87 4.93 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.542 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -65.52 -40.45 93.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.427 1.079 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.519 HD21 ' HB2' ' A' ' 61' ' ' TYR . 74.6 mt -65.64 -53.2 44.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.567 1.167 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -40.36 -60.11 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 0.0 110.334 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.578 ' HD3' HD11 ' A' ' 53' ' ' ILE . 3.1 mtp180 -46.91 -54.57 9.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.658 HD11 ' CG2' ' A' ' 53' ' ' ILE . 84.6 mt -48.35 -36.57 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.621 HD12 HD22 ' A' ' 8' ' ' LEU . 86.1 mt -75.73 -33.05 60.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' ARG . 63.9 mt -78.17 -12.11 59.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -106.77 -4.69 19.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.49 ' HB2' HD11 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -42.96 -50.45 5.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -47.25 -33.43 5.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 72' ' ' ALA . 0.9 OUTLIER -92.73 -39.1 11.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.227 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.758 HD12 HD21 ' A' ' 15' ' ' LEU . 16.6 mt -38.48 143.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.35 146.16 8.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.339 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.443 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 7.9 m-85 -110.4 110.64 21.49 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.446 1.091 . . . . 0.0 111.022 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.567 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 27.3 t -90.23 113.08 25.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.421 1.076 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.3 mm -103.87 71.21 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.433 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -51.82 -59.29 4.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.875 ' O ' HD21 ' A' ' 44' ' ' LEU . 1.1 mmpp? . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.246 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 63' ' ' ILE . 23.7 mt . . . . . 0 N--CA 1.453 -0.323 0 N-CA-C 109.287 -0.634 . . . . 0.0 109.287 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.487 ' HD3' ' CB ' ' A' ' 59' ' ' SER . 0.5 OUTLIER -39.75 -53.66 2.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 ttpp -58.12 -44.54 87.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.224 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 8' ' ' LEU . 3.3 mt-30 -58.7 -55.61 32.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.45 HG11 ' HB3' ' A' ' 58' ' ' PRO . 53.6 t -62.33 -45.09 99.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -49.13 -51.31 32.88 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.423 1.077 . . . . 0.0 110.274 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -68.85 -40.76 79.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 110.363 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.754 HD21 HD12 ' A' ' 76' ' ' ILE . 1.5 tp -60.41 -59.65 5.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.478 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 1.8 m-30 -39.59 -57.11 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -58.32 -53.31 59.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 mtm-85 -39.53 -62.03 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.268 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.481 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 41.0 mmtt -45.55 -60.87 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -53.13 -51.75 60.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -54.95 -38.53 67.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.37 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -67.66 -38.98 84.55 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.403 1.064 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.22 -14.78 57.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.3 pt -123.47 2.88 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 21' ' ' ALA . 1.8 mtmt 55.25 61.76 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -113.27 124.26 52.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.67 25.88 3.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.59 170.22 24.28 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 117.35 4.88 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.429 1.752 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.0 m -111.34 165.63 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.243 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.9 m -103.29 142.11 34.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.43 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 28.3 mt -97.69 121.69 57.28 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.465 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.6 Cg_endo -74.92 108.86 2.81 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 111.061 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.709 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 4.4 m-85 -81.02 -37.83 0.96 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.08 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.709 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.2 Cg_endo -75.05 -68.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.782 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 35' ' ' PRO . 33.9 mt -36.4 -47.89 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.465 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 2.1 m-85 -57.54 -50.2 73.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.424 1.077 . . . . 0.0 111.009 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 35' ' ' PRO . 6.1 mm100 -54.59 -42.33 70.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.549 ' OG ' ' CD2' ' A' ' 40' ' ' HIS . 18.8 p -67.19 -33.21 74.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.549 ' CD2' ' OG ' ' A' ' 39' ' ' SER . 34.5 m-70 -124.3 70.15 1.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.661 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.6 m -82.48 -6.92 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 109.228 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -90.23 -15.67 30.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.244 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.492 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 21.8 m-20 -121.78 -49.41 2.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.244 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.0 mt -97.87 124.39 42.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.577 ' OH ' HG11 ' A' ' 79' ' ' VAL . 45.7 p90 -177.47 161.29 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.59 HG21 ' CE1' ' A' ' 55' ' ' PHE . 14.7 t -104.37 151.8 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.398 1.061 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 12.6 mt-10 -137.1 -179.58 5.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.8 1.57 67.55 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.478 1.111 . . . . 0.0 111.044 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.1 mt -70.05 155.07 94.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 0.74 . . . . 0.0 109.334 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.947 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.1 Cg_endo -75.02 -174.84 2.09 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -84.12 137.89 33.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.05 30.54 69.83 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.493 1.12 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.947 HD12 ' HG2' ' A' ' 50' ' ' PRO . 10.8 mt -150.11 96.29 3.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -162.06 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.79 . . . . 0.0 110.98 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.59 ' CE1' HG21 ' A' ' 46' ' ' VAL . 10.9 t80 -109.67 85.38 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 57' ' ' ARG . 21.4 mmt180 -135.42 165.52 25.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.8 OUTLIER -37.31 127.15 0.85 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.506 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.99 1.51 7.66 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.495 1.787 . . . . 0.0 111.024 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.487 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 26.3 p -95.54 5.21 52.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.021 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -123.71 -3.2 8.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.439 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.506 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 5.0 m-85 -84.47 157.6 21.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.64 164.01 53.85 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.561 1.163 . . . . 0.0 110.952 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.658 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 2.0 mp -59.32 -43.17 96.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.466 0.745 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.658 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -75.0 -29.27 8.4 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.543 1.812 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.632 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.4 OUTLIER -64.65 -49.55 70.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.372 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.433 HD13 ' N ' ' A' ' 9' ' ' ARG . 89.8 mt -58.41 -56.82 17.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 66' ' ' LEU . 2.6 mt-10 -37.16 -57.49 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.34 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.486 ' HD3' HD11 ' A' ' 53' ' ' ILE . 11.5 mtp180 -52.97 -51.78 60.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.356 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.575 HD11 ' CG2' ' A' ' 53' ' ' ILE . 93.7 mt -50.7 -31.93 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 63.7 mt -77.93 -31.89 51.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 76.7 mt -78.99 -15.33 58.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -102.29 -3.23 27.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.46 ' HB2' HD11 ' A' ' 15' ' ' LEU . 2.2 ptmt -47.98 -43.35 29.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -55.63 -17.98 6.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 76' ' ' ILE . 20.8 mmt180 -110.81 -36.89 5.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.578 1.174 . . . . 0.0 110.27 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.754 HD12 HD21 ' A' ' 15' ' ' LEU . 22.4 mt -39.28 143.99 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -160.73 145.67 14.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 4.9 m-85 -111.24 106.98 16.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.577 HG11 ' OH ' ' A' ' 45' ' ' TYR . 16.9 t -85.07 129.88 37.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.441 1.088 . . . . 0.0 109.341 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.1 mm -121.96 64.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.492 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 3.6 mtmt -47.62 -55.59 9.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 109.351 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.498 HD22 HD12 ' A' ' 70' ' ' LEU . 51.8 mt . . . . . 0 N--CA 1.453 -0.316 0 N-CA-C 109.319 -0.623 . . . . 0.0 109.319 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.455 ' HD3' ' CB ' ' A' ' 59' ' ' SER . 1.8 ttm-85 -38.75 -54.48 1.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.27 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -56.45 -47.05 79.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.528 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.9 mt-30 -53.59 -47.59 69.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.297 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 52.6 t -71.06 -45.35 72.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -51.55 -49.48 61.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -71.65 -39.82 70.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.268 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.595 HD22 HD23 ' A' ' 70' ' ' LEU . 2.6 tp -61.13 -52.7 63.76 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.474 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 1.7 m-30 -45.63 -60.56 2.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.554 1.159 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -51.85 -52.1 51.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -39.01 -64.44 0.45 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.554 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 41.3 mmtt -45.2 -59.8 2.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -51.27 -46.23 62.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.436 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -61.26 -38.82 88.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.387 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -62.6 -45.52 92.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.77 -19.58 29.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.512 HG13 ' HB2' ' A' ' 26' ' ' ALA . 6.1 pt -122.99 17.4 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.256 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 21' ' ' ALA . 15.6 mmtm 39.04 61.04 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.256 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.512 ' HB2' HG13 ' A' ' 24' ' ' ILE . . . -108.45 120.5 42.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.347 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.14 23.75 3.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -136.2 170.06 23.41 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.555 1.16 . . . . 0.0 110.946 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 117.17 4.82 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.409 HG11 HD11 ' A' ' 24' ' ' ILE . 8.7 m -110.33 164.84 6.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.9 m -103.08 145.05 30.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.39 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.474 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 41.9 mt -102.01 119.89 55.43 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.446 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.2 Cg_endo -74.9 105.8 2.15 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.519 1.799 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.729 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 9.0 m-85 -79.54 -36.11 1.04 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.729 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.1 Cg_endo -75.06 -68.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.44 ' HB2' ' HB2' ' A' ' 33' ' ' PRO . 40.8 mt -36.75 -54.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.592 1.182 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.446 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 2.3 m-85 -49.48 -47.6 48.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 35' ' ' PRO . 3.2 mm-40 -57.71 -35.28 70.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . 0.419 ' OG ' ' CD2' ' A' ' 40' ' ' HIS . 71.5 p -83.81 -9.46 58.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.988 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.419 ' CD2' ' OG ' ' A' ' 39' ' ' SER . 57.4 m-70 -146.25 68.91 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.524 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.0 m -86.0 -12.31 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -87.01 -8.61 57.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -124.96 -51.73 1.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.4 mt -101.9 112.27 24.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.391 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.611 ' OH ' HG11 ' A' ' 79' ' ' VAL . 22.0 p90 -160.22 157.64 28.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.736 HG21 ' CE1' ' A' ' 55' ' ' PHE . 28.4 t -101.22 151.02 5.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.419 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 5.6 mt-10 -136.15 179.83 6.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.93 1.98 69.68 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.0 mt -72.92 155.99 90.11 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.557 0.799 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.926 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.98 -172.67 1.32 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.476 1.777 . . . . 0.0 111.037 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.33 139.67 30.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.18 29.91 70.04 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.547 1.154 . . . . 0.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.926 HD12 ' HG2' ' A' ' 50' ' ' PRO . 11.0 mt -150.28 96.58 3.44 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.525 0.779 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -162.38 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.551 1.816 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.736 ' CE1' HG21 ' A' ' 46' ' ' VAL . 22.3 t80 -109.99 76.4 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 57' ' ' ARG . 8.1 mmt180 -125.01 165.79 17.52 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.458 1.099 . . . . 0.0 110.267 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.4 OUTLIER -36.58 124.85 0.76 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.356 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.523 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.93 1.5 7.63 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.435 1.755 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.455 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 38.4 p -97.38 9.1 43.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.951 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 60' ' ' THR . 1.1 t -132.7 15.49 4.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.439 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.783 ' HB2' HD21 ' A' ' 66' ' ' LEU . 2.6 m-85 -99.62 160.81 14.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.436 1.085 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.43 163.38 52.85 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.423 1.077 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.632 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 21.3 mt -58.95 -44.59 99.09 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.341 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -75.09 -30.37 7.11 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.476 1.777 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.65 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.4 OUTLIER -63.98 -46.11 86.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.16 . . . . 0.0 110.357 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.783 HD21 ' HB2' ' A' ' 61' ' ' TYR . 94.5 mt -63.05 -55.42 25.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -38.8 -60.09 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.419 ' HD3' HD11 ' A' ' 53' ' ' ILE . 6.0 mtp180 -48.38 -52.9 19.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.545 HG23 HD11 ' A' ' 76' ' ' ILE . 96.8 mt -49.12 -35.69 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.595 HD23 HD22 ' A' ' 15' ' ' LEU . 83.2 mt -76.31 -33.89 59.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 50.1 mt -76.98 -12.89 60.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.384 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -107.68 -3.59 19.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.44 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -47.53 -36.99 11.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.244 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -59.22 -27.47 65.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 76' ' ' ILE . 2.6 mtt180 -101.33 -36.93 8.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.545 HD11 HG23 ' A' ' 69' ' ' ILE . 28.6 mt -38.41 144.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.236 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -160.61 146.94 15.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.554 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 4.1 m-85 -111.06 107.03 16.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 111.033 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.611 HG11 ' OH ' ' A' ' 45' ' ' TYR . 39.8 t -85.54 135.29 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.55 HD13 ' O ' ' A' ' 79' ' ' VAL . 3.1 mm -126.25 75.17 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -51.78 68.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.09 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.324 -0.501 0 O-C-N 124.437 1.085 . . . . 0.0 109.298 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.532 HD22 HD12 ' A' ' 70' ' ' LEU . 42.1 mt . . . . . 0 N--CA 1.453 -0.292 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 9' ' ' ARG . 1.9 ttm105 -38.81 -53.85 1.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.43 -46.47 83.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.376 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.69 ' HB2' HD11 ' A' ' 70' ' ' LEU . 5.2 mt-30 -54.74 -53.2 58.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.591 1.182 . . . . 0.0 110.264 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 54.2 t -65.82 -44.89 92.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -49.19 -53.17 22.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.288 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -66.28 -39.73 89.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 110.317 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.69 HD21 HD12 ' A' ' 76' ' ' ILE . 1.4 tp -61.58 -61.46 2.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.133 . . . . 0.0 109.319 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.455 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.4 m-30 -37.6 -56.9 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 111.077 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 18' ' ' ARG . 3.6 mt-10 -56.95 -53.85 53.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' GLU . 0.9 OUTLIER -38.55 -64.79 0.4 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 110.305 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.57 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 59.6 mmtt -43.02 -59.13 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.426 1.079 . . . . 0.0 109.231 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.1 t80 -54.72 -54.31 43.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -53.15 -38.3 62.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -67.3 -40.21 86.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.35 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.13 -18.8 63.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.9 pt -119.87 6.99 6.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.607 1.192 . . . . 0.0 109.285 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 21' ' ' ALA . 0.2 OUTLIER 49.59 64.34 1.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -114.43 123.18 48.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -92.9 27.15 2.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -140.69 169.64 24.79 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.135 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 117.13 4.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.462 1.77 . . . . 0.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.0 m -110.85 163.86 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.9 m -103.04 145.14 30.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.371 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 19.2 mt -101.19 119.25 58.38 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.453 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 18.4 Cg_endo -74.97 105.37 2.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.525 1.803 . . . . 0.0 111.049 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.749 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 13.0 m-85 -78.39 -34.59 1.06 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.376 1.048 . . . . 0.0 110.975 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.749 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -75.01 -69.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.496 1.788 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.453 ' HB2' ' HB2' ' A' ' 33' ' ' PRO . 54.3 mt -36.39 -54.74 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.532 ' CZ ' ' HB3' ' A' ' 44' ' ' LEU . 3.0 m-85 -51.1 -51.04 57.33 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.418 1.074 . . . . 0.0 111.015 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 35' ' ' PRO . 2.9 mm-40 -51.58 -33.39 32.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.79 -27.56 33.66 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.531 1.144 . . . . 0.0 109.98 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 19.3 m-70 -126.53 58.05 1.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.537 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.9 m -73.29 -12.43 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -82.84 -25.51 32.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.305 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.43 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 0.6 OUTLIER -108.47 -55.9 2.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 47.1 mt -93.48 112.45 24.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.244 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.551 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 17.2 p90 -161.07 151.02 17.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 110.972 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.698 HG21 ' CE1' ' A' ' 55' ' ' PHE . 30.7 t -97.86 148.41 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 4.5 mt-10 -133.32 -178.77 5.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.95 1.88 69.44 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.431 HD13 ' O ' ' A' ' 54' ' ' PRO . 73.3 mt -69.99 153.49 95.36 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.949 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.1 Cg_endo -75.03 -172.0 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.457 1.767 . . . . 0.0 110.947 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.13 137.76 32.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.393 1.058 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.407 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 69.89 29.75 70.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.136 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.949 HD12 ' HG2' ' A' ' 50' ' ' PRO . 8.0 mt -150.22 95.96 3.53 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.526 0.78 . . . . 0.0 109.301 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.431 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.98 -161.43 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.457 1.767 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.698 ' CE1' HG21 ' A' ' 46' ' ' VAL . 8.5 t80 -109.59 83.41 1.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 57' ' ' ARG . 0.4 OUTLIER -134.96 165.7 24.73 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.496 1.122 . . . . 0.0 110.253 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.518 ' HB3' HG23 ' A' ' 60' ' ' THR . 2.8 mtt180 -36.17 129.56 0.64 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.347 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.486 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.5 Cg_endo -74.94 2.89 6.09 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.519 1.799 . . . . 0.0 111.051 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.457 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 1.2 m -97.38 6.35 48.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.97 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.518 HG23 ' HB3' ' A' ' 57' ' ' ARG . 15.5 p -121.03 -6.3 9.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 110.407 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.451 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 9.6 m-85 -86.05 150.39 24.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.407 ' C ' ' HD2' ' A' ' 64' ' ' PRO . . . -70.78 164.09 53.34 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.431 1.082 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.649 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 34.5 mt -56.11 -43.92 99.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.439 0.729 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.99 -32.6 5.25 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.517 1.799 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.645 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -64.27 -44.57 91.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.375 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.432 HD21 ' HB2' ' A' ' 61' ' ' TYR . 77.5 mt -61.88 -54.42 42.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -39.82 -61.35 0.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.5 ' HD3' HD11 ' A' ' 53' ' ' ILE . 0.5 OUTLIER -45.55 -55.04 6.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.607 HD11 ' CG2' ' A' ' 53' ' ' ILE . 89.1 mt -47.89 -38.36 7.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.69 HD11 ' HB2' ' A' ' 11' ' ' GLN . 76.9 mt -73.6 -32.8 64.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 68' ' ' ARG . 54.3 mt -76.54 -25.57 54.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.133 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -93.47 -2.87 53.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.469 ' HB2' HD11 ' A' ' 15' ' ' LEU . 1.5 ptmt -44.18 -46.65 8.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -50.29 -32.04 15.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.235 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 72' ' ' ALA . 9.8 mmt180 -94.77 -39.7 10.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.349 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.69 HD12 HD21 ' A' ' 15' ' ' LEU . 19.5 mt -37.74 142.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 2.8 ttp180 -160.97 142.44 11.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.359 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.57 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 4.8 m-85 -107.94 109.8 21.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 111.04 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.551 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 39.7 t -89.39 128.44 41.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 3.8 mm -118.98 78.81 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.43 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -61.79 -49.61 75.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.249 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.695 HD22 HD12 ' A' ' 70' ' ' LEU . 55.8 mt . . . . . 0 N--CA 1.452 -0.336 0 N-CA-C 109.311 -0.625 . . . . 0.0 109.311 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.492 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 2.3 ttm180 -41.67 -49.77 4.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -60.75 -44.21 97.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.254 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.59 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.3 mt-30 -58.06 -52.79 64.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.446 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 49.2 t -66.67 -42.68 90.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -54.02 -54.38 39.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.81 -34.57 78.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.419 1.074 . . . . 0.0 110.26 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.672 HD21 HD12 ' A' ' 76' ' ' ILE . 1.4 tp -66.0 -54.34 27.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.155 . . . . 0.0 109.235 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.475 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.3 m-30 -44.85 -57.86 3.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.05 -50.21 71.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -42.06 -65.15 0.49 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 110.367 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.574 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 38.0 mmtt -43.55 -59.06 2.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 54.8 t80 -52.1 -47.97 64.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.567 1.167 . . . . 0.0 111.055 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.508 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -59.86 -38.06 81.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -63.77 -43.97 94.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.56 -18.13 38.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.49 HG13 ' HB2' ' A' ' 26' ' ' ALA . 4.0 pt -123.38 14.35 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.394 1.059 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 21' ' ' ALA . 30.2 mmtt 42.05 60.93 2.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.611 1.195 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.508 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -107.21 122.23 46.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.249 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.3 28.35 2.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.25 170.04 25.17 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.12 116.94 4.71 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.3 m -110.96 163.93 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.369 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 86.4 m -103.74 143.14 33.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.368 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 25.8 mt -97.26 120.99 59.99 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.14 . . . . 0.0 109.249 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.451 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 18.2 Cg_endo -75.07 107.14 2.41 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.81 . . . . 0.0 110.993 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.734 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 20.5 m-85 -79.62 -35.76 1.0 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 111.051 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.734 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.2 Cg_endo -75.05 -69.14 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.431 1.753 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.451 ' HB2' ' HB2' ' A' ' 33' ' ' PRO . 45.2 mt -36.2 -54.23 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.424 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 2.6 m-85 -50.78 -50.24 56.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 35' ' ' PRO . 1.7 mm100 -55.67 -29.85 60.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.361 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.39 -27.79 31.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.951 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 54.5 m-70 -130.1 69.76 1.44 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.459 1.099 . . . . 0.0 109.56 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.6 m -82.01 -9.48 11.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 0.0 109.328 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -84.84 -31.92 23.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.472 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 7.2 m-20 -103.13 -53.14 2.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.166 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.0 mt -95.39 121.07 36.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.445 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 22.9 p90 -170.97 155.13 4.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 111.019 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.701 HG21 ' CE1' ' A' ' 55' ' ' PHE . 13.5 t -96.75 153.39 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 11.8 mt-10 -140.57 174.71 10.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.14 1.27 87.74 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.448 1.093 . . . . 0.0 111.043 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 54' ' ' PRO . 56.2 mt -68.55 155.44 92.81 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.939 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.94 -165.19 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 111.078 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -93.15 137.37 32.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.425 ' O ' ' NH1' ' A' ' 65' ' ' ARG . . . 70.03 30.31 70.05 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.567 1.167 . . . . 0.0 111.007 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.939 HD12 ' HG2' ' A' ' 50' ' ' PRO . 6.6 mt -148.68 97.1 3.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.437 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.03 -159.75 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.445 1.761 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.701 ' CE1' HG21 ' A' ' 46' ' ' VAL . 16.8 t80 -111.65 85.02 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' ARG . 24.6 mmt180 -136.53 165.66 25.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.419 1.074 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' ARG . 43.2 mtt180 -37.56 125.37 0.92 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.428 1.08 . . . . 0.0 110.251 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.561 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.99 1.23 7.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.803 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.492 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 1.4 p -87.17 2.23 50.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.028 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.6 p -115.96 -39.16 3.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.435 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.567 ' HB2' HD21 ' A' ' 66' ' ' LEU . 11.6 m-85 -46.47 144.13 2.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 110.965 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.422 ' C ' ' HD2' ' A' ' 64' ' ' PRO . . . -68.2 164.63 47.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.649 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 13.6 mt -55.68 -43.75 99.32 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.463 0.743 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.98 -33.21 4.77 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.775 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.425 ' NH1' ' O ' ' A' ' 52' ' ' GLY . 0.2 OUTLIER -63.25 -44.75 94.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.356 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.567 HD21 ' HB2' ' A' ' 61' ' ' TYR . 89.2 mt -62.06 -54.34 42.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -39.11 -56.19 1.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.508 ' HD3' HD11 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -51.12 -54.3 26.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.522 HD11 ' CG2' ' A' ' 53' ' ' ILE . 85.6 mt -48.34 -35.42 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.364 1.04 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.695 HD12 HD22 ' A' ' 8' ' ' LEU . 77.6 mt -76.47 -31.51 57.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' ARG . 76.8 mt -78.06 -16.47 58.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -103.57 -4.42 23.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.61 1.194 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.518 ' HB2' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -45.9 -34.68 4.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -59.93 -33.96 72.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' ALA . 3.0 mtt180 -95.02 -35.81 11.81 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.473 1.108 . . . . 0.0 110.357 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.672 HD12 HD21 ' A' ' 15' ' ' LEU . 13.8 mt -37.79 141.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 6.4 ttt180 -161.04 145.25 13.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.339 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.574 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 5.4 m-85 -111.16 108.78 18.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.448 ' O ' HD13 ' A' ' 80' ' ' ILE . 18.9 t -88.09 133.22 31.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.448 HD13 ' O ' ' A' ' 79' ' ' VAL . 3.6 mm -123.71 70.6 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.472 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -55.13 -54.66 40.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.713 HD22 HD12 ' A' ' 70' ' ' LEU . 47.9 mt . . . . . 0 N--CA 1.452 -0.354 0 N-CA-C 109.336 -0.616 . . . . 0.0 109.336 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -39.03 -58.22 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 tttp -52.82 -47.71 67.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.707 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.4 mt-30 -53.47 -51.28 63.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.487 HG11 ' HB3' ' A' ' 58' ' ' PRO . 54.4 t -65.73 -46.26 89.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.409 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 29.2 mt-10 -49.95 -52.21 35.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.328 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -68.46 -38.59 81.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.266 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.953 HD21 HD12 ' A' ' 76' ' ' ILE . 1.2 tp -61.82 -55.54 28.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.472 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.4 m-30 -44.76 -60.83 1.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.409 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 2.5 mt-10 -56.22 -49.4 74.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.249 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -42.75 -62.17 1.07 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.534 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 47.7 mmtt -46.87 -60.75 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.316 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 54.7 t80 -50.07 -47.7 53.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.982 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.568 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -59.54 -39.88 85.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.088 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -62.02 -44.33 96.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.9 -19.53 43.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.502 HG13 ' HB2' ' A' ' 26' ' ' ALA . 4.0 pt -122.62 16.05 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 21' ' ' ALA . 21.0 mtmt 41.4 59.53 2.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 109.338 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.568 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -105.02 119.62 39.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.34 25.56 2.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.409 1.068 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.78 169.93 24.44 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.546 1.154 . . . . 0.0 111.034 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 117.35 4.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.783 . . . . 0.0 110.982 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.5 m -111.53 162.75 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.2 m -103.45 142.43 34.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.417 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.472 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 63.3 mt -98.21 118.73 63.18 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.605 1.191 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.444 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.4 Cg_endo -74.98 109.09 2.86 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.528 1.804 . . . . 0.0 111.006 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.753 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 14.5 m-85 -78.82 -34.42 0.98 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 111.065 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.753 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.0 Cg_endo -75.08 -70.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.464 1.77 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.457 ' C ' ' O ' ' A' ' 35' ' ' PRO . 89.3 mt -35.84 -54.39 0.74 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.444 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 3.6 m-85 -51.9 -48.42 64.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 35' ' ' PRO . 2.7 mm100 -57.39 -29.17 63.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.3 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.39 -25.28 29.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.948 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 87.6 m-70 -131.42 70.88 1.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.561 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.2 m -84.54 -9.19 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -90.72 -4.87 56.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.539 1.15 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.465 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 53.1 m-20 -126.02 -59.38 1.34 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.893 HD21 ' O ' ' A' ' 82' ' ' LYS . 15.5 mt -98.68 120.69 39.55 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.811 ' OH ' HG11 ' A' ' 79' ' ' VAL . 39.4 p90 -166.05 155.94 12.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.739 HG21 ' CE1' ' A' ' 55' ' ' PHE . 23.0 t -99.35 137.04 28.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 4.5 mt-10 -126.86 -177.69 4.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.34 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.85 1.79 68.56 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.533 1.146 . . . . 0.0 110.946 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.2 mt -70.25 154.81 94.27 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 0.0 109.333 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.967 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.99 -174.93 2.11 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.458 1.767 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.38 139.29 32.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.602 1.189 . . . . 0.0 110.285 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.4 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 69.94 30.1 70.37 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.436 1.085 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.967 HD12 ' HG2' ' A' ' 50' ' ' PRO . 9.7 mt -150.15 96.72 3.46 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.785 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -162.49 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.449 1.762 . . . . 0.0 111.035 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.739 ' CE1' HG21 ' A' ' 46' ' ' VAL . 9.3 t80 -110.21 84.83 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' ARG . 10.8 mmt85 -134.98 165.82 24.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.318 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.8 OUTLIER -37.5 127.23 0.89 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.573 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.98 1.35 7.83 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 9' ' ' ARG . 80.3 p -94.4 8.34 42.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.942 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.41 ' O ' HG23 ' A' ' 60' ' ' THR . 0.6 OUTLIER -129.83 4.5 4.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.453 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.573 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 4.1 m-30 -90.01 153.06 20.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.1 163.04 54.49 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.637 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 23.8 mt -56.8 -44.22 99.68 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.482 0.754 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.02 -30.64 6.93 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.465 1.771 . . . . 0.0 111.025 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.657 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.3 OUTLIER -67.99 -39.52 83.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.459 HD21 ' HB2' ' A' ' 61' ' ' TYR . 66.9 mt -67.72 -47.58 68.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -45.58 -63.92 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.541 ' HD3' HD11 ' A' ' 53' ' ' ILE . 4.7 mtp180 -44.76 -52.74 8.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.551 HD11 ' CG2' ' A' ' 53' ' ' ILE . 95.6 mt -49.79 -32.95 8.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.713 HD12 HD22 ' A' ' 8' ' ' LEU . 68.0 mt -81.83 -29.75 32.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 68' ' ' ARG . 10.5 mt -85.06 -3.15 58.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.409 ' C ' HG13 ' A' ' 76' ' ' ILE . . . -113.97 -1.88 13.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.595 ' HB2' HD11 ' A' ' 15' ' ' LEU . 2.6 pttp -48.6 -41.4 30.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -56.18 -17.29 6.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.353 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 76' ' ' ILE . 18.8 mmt-85 -111.43 -37.46 5.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.953 HD12 HD21 ' A' ' 15' ' ' LEU . 7.2 mt -39.4 140.36 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.545 1.153 . . . . 0.0 109.208 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 1.3 ttt180 -157.61 146.32 19.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.342 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.534 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 7.2 m-85 -113.52 107.14 15.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.811 HG11 ' OH ' ' A' ' 45' ' ' TYR . 40.6 t -85.07 119.3 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.346 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.5 mm -112.06 74.6 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.465 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 8.7 mttt -61.48 -54.25 45.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.893 ' O ' HD21 ' A' ' 44' ' ' LEU . 7.3 mmtt . . . . . 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.625 HD22 HD12 ' A' ' 70' ' ' LEU . 66.7 mt . . . . . 0 N--CA 1.454 -0.258 0 N-CA-C 109.249 -0.648 . . . . 0.0 109.249 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.478 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 1.0 OUTLIER -39.46 -55.58 1.76 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.57 1.169 . . . . 0.0 110.345 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -53.62 -43.39 68.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.555 ' HB2' HD11 ' A' ' 70' ' ' LEU . 5.8 mt-30 -57.73 -50.24 73.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 110.321 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 53.0 t -67.36 -44.31 87.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.253 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.402 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 40.9 mt-10 -51.34 -54.43 26.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.58 1.175 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -65.43 -36.01 82.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 110.271 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.695 HD21 HD12 ' A' ' 76' ' ' ILE . 2.1 tp -64.47 -58.48 6.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.3 m-30 -40.96 -51.76 3.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 0.0 111.028 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 3.2 mt-10 -62.78 -51.14 68.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -40.84 -62.89 0.73 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.384 1.052 . . . . 0.0 110.285 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.573 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 43.3 mmtt -47.24 -60.79 2.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.229 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 49.8 t80 -50.26 -51.73 42.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.543 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -56.15 -40.25 73.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -64.48 -39.33 93.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.342 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.32 -15.54 57.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.5 pt -124.14 7.06 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 21' ' ' ALA . 21.0 mmtp 52.85 58.84 4.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.238 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.543 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -109.6 120.36 42.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.279 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -92.54 23.82 3.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -136.5 170.01 23.53 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.482 1.113 . . . . 0.0 110.982 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 118.1 5.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 110.969 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.5 m -111.96 161.36 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.8 m -103.18 138.85 39.44 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 110.459 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.2 mt -96.57 115.26 65.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.455 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 18.5 Cg_endo -74.91 117.83 5.06 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.481 1.779 . . . . 0.0 110.978 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.744 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 18.5 m-85 -77.51 -33.83 1.09 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.744 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -75.05 -68.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.54 1.811 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.455 ' HB2' ' HB2' ' A' ' 33' ' ' PRO . 27.0 mt -37.17 -44.52 0.57 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.234 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -70.52 -45.05 66.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 35' ' ' PRO . 1.9 tt0 -62.37 -37.34 85.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.264 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -27.79 63.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.025 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -130.48 69.9 1.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.55 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.3 m -80.8 -8.2 11.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -88.34 -15.31 36.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.459 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 2.5 m-20 -116.49 -58.31 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.846 HD21 ' O ' ' A' ' 82' ' ' LYS . 12.9 mt -95.34 114.04 25.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.575 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 16.2 p90 -159.39 151.89 21.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.65 HG21 ' CE1' ' A' ' 55' ' ' PHE . 4.4 t -94.3 143.24 12.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 4.4 mt-10 -128.55 178.19 6.48 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 0.0 110.269 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.35 1.43 69.98 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.523 1.14 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 54' ' ' PRO . 41.4 mt -68.33 153.25 95.83 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.943 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.98 -176.29 2.8 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.412 1.743 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.38 138.75 33.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 110.288 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.407 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 69.93 29.58 70.74 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.536 1.148 . . . . 0.0 110.965 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.943 HD12 ' HG2' ' A' ' 50' ' ' PRO . 7.6 mt -150.05 95.88 3.58 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.402 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.0 Cg_endo -75.04 -161.84 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.504 1.792 . . . . 0.0 111.004 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.65 ' CE1' HG21 ' A' ' 46' ' ' VAL . 13.1 t80 -108.27 87.59 2.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.438 ' N ' ' OH ' ' A' ' 61' ' ' TYR . 60.3 mmt-85 -139.22 165.67 26.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.252 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 56' ' ' ARG . 3.6 mtt180 -37.29 126.06 0.86 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 110.327 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.516 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.1 Cg_endo -75.08 0.65 8.69 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 0.0 110.918 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.478 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 24.7 p -94.8 3.11 55.4 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.523 1.14 . . . . 0.0 110.017 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.35 -11.26 10.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.432 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.672 ' HB2' HD21 ' A' ' 66' ' ' LEU . 7.0 m-85 -77.31 159.74 29.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.52 163.68 50.24 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.46 1.1 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.643 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 4.3 mt -57.2 -44.22 99.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 109.328 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.95 -33.18 4.84 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.484 1.781 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.59 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -65.25 -37.57 87.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.672 HD21 ' HB2' ' A' ' 61' ' ' TYR . 84.4 mt -69.32 -49.71 53.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -43.39 -59.19 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -48.31 -52.73 20.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.585 HD11 ' CG2' ' A' ' 53' ' ' ILE . 83.0 mt -49.41 -37.23 10.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.625 HD12 HD22 ' A' ' 8' ' ' LEU . 61.8 mt -73.73 -33.28 64.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 62.4 mt -77.7 -15.53 59.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -103.0 -4.48 24.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.46 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 1.1 pttt -47.6 -41.6 22.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -56.88 -22.11 34.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.338 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 72' ' ' ALA . 3.3 mtt-85 -106.31 -36.67 6.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.695 HD12 HD21 ' A' ' 15' ' ' LEU . 40.0 mt -39.06 145.12 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.576 1.173 . . . . 0.0 109.308 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -163.08 145.68 10.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.573 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 8.1 m-85 -110.83 108.65 18.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.405 1.066 . . . . 0.0 110.937 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.575 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 29.8 t -89.98 117.1 32.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.2 mm -105.35 68.27 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.17 . . . . 0.0 109.287 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.459 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -47.44 -61.06 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.178 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.846 ' O ' HD21 ' A' ' 44' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.683 HD22 HD12 ' A' ' 70' ' ' LEU . 49.9 mt . . . . . 0 N--CA 1.453 -0.31 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.488 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -42.22 -55.08 3.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -56.47 -47.08 79.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.75 ' HB2' HD11 ' A' ' 70' ' ' LEU . 3.6 mt-30 -54.78 -51.29 66.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.471 HG11 ' HB3' ' A' ' 58' ' ' PRO . 54.9 t -66.2 -44.64 91.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -52.51 -55.0 25.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -65.53 -32.3 73.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 110.342 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.723 HD21 HD12 ' A' ' 76' ' ' ILE . 4.1 tp -68.41 -57.01 6.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.46 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.9 m-30 -42.86 -55.27 3.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -57.34 -53.31 59.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.327 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.5 -64.44 0.43 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.574 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 43.6 mmtt -45.79 -58.34 3.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -52.6 -57.88 8.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.614 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -51.11 -41.82 60.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -62.66 -39.78 95.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.81 -25.02 67.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.9 pt -113.11 7.69 7.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.604 1.19 . . . . 0.0 109.206 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 21' ' ' ALA . 6.5 mtmt 52.32 59.07 4.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.614 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -107.72 124.17 49.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.409 1.068 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -95.95 25.57 4.67 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -140.14 170.11 24.46 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.538 1.148 . . . . 0.0 111.022 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 117.41 4.9 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.534 1.807 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.1 m -112.85 163.82 9.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 92.6 m -103.84 144.24 31.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.38 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 47.6 mt -99.86 115.62 65.41 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.572 1.17 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.463 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 18.2 Cg_endo -74.98 116.79 4.7 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.582 1.832 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.742 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 22.0 m-85 -77.23 -33.86 1.13 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.742 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -74.96 -68.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.451 1.764 . . . . 0.0 111.056 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.463 ' HB2' ' HB2' ' A' ' 33' ' ' PRO . 67.5 mt -37.26 -45.06 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -69.87 -44.94 68.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.407 1.067 . . . . 0.0 111.041 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 35' ' ' PRO . 2.8 tt0 -62.63 -43.62 98.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.347 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.0 -32.69 73.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.965 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -124.88 71.33 1.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.572 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.5 m -81.96 -11.39 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.165 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -89.23 -3.51 58.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -123.48 -54.57 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.664 HD21 ' O ' ' A' ' 82' ' ' LYS . 8.6 mt -106.45 117.39 33.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.558 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 18.1 p90 -158.06 152.09 24.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.578 1.174 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.689 HG21 ' CE1' ' A' ' 55' ' ' PHE . 7.6 t -94.57 138.16 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 109.229 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.427 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 7.6 mt-10 -125.85 178.97 5.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.66 1.55 72.12 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.434 1.084 . . . . 0.0 110.965 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.1 mt -68.37 155.89 91.52 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.44 0.73 . . . . 0.0 109.37 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.959 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.02 -170.34 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.027 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -88.92 138.51 31.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.439 ' O ' ' NH1' ' A' ' 65' ' ' ARG . . . 69.45 30.39 71.25 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.479 1.112 . . . . 0.0 111.042 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.959 HD12 ' HG2' ' A' ' 50' ' ' PRO . 7.7 mt -149.05 96.7 3.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.751 . . . . 0.0 109.277 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -162.58 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.446 1.761 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.689 ' CE1' HG21 ' A' ' 46' ' ' VAL . 14.1 t80 -108.77 86.34 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.965 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.425 ' N ' ' OH ' ' A' ' 61' ' ' TYR . 12.2 mmt180 -136.55 165.49 25.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 110.252 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 56' ' ' ARG . 3.1 mtt180 -37.29 126.83 0.85 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.426 1.078 . . . . 0.0 110.285 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.516 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -74.96 1.24 7.93 Favored 'Trans proline' 0 C--N 1.361 1.236 0 O-C-N 124.45 1.763 . . . . 0.0 110.977 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.488 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 25.1 p -96.32 8.16 44.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -127.03 1.13 6.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.632 ' HB2' HD21 ' A' ' 66' ' ' LEU . 5.3 m-85 -89.04 156.56 18.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.63 163.52 54.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.112 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.644 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 3.4 mt -57.18 -44.18 99.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.03 -32.48 5.31 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.556 1.819 . . . . 0.0 110.96 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 52' ' ' GLY . 0.3 OUTLIER -64.72 -40.22 94.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.632 HD21 ' HB2' ' A' ' 61' ' ' TYR . 89.9 mt -67.95 -50.13 57.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -44.35 -61.4 1.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.349 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.527 ' HD3' HD11 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -46.05 -51.96 12.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.558 HD11 ' CG2' ' A' ' 53' ' ' ILE . 87.0 mt -50.58 -39.39 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.75 HD11 ' HB2' ' A' ' 11' ' ' GLN . 42.9 mt -72.05 -29.18 63.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.7 mt -81.78 -15.87 52.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -102.37 -4.57 25.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.454 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -46.38 -44.49 17.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -53.85 -23.34 12.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 0.0 110.229 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' ALA . 11.6 mmt180 -104.75 -37.85 6.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.11 . . . . 0.0 110.298 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.723 HD12 HD21 ' A' ' 15' ' ' LEU . 44.3 mt -38.59 144.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -162.72 146.31 11.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.316 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.574 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 7.7 m-85 -112.8 107.55 16.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.412 1.07 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.558 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 23.3 t -88.1 118.21 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 13.8 mm -106.74 78.77 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -61.26 2.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.664 ' O ' HD21 ' A' ' 44' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.621 HD22 HD12 ' A' ' 70' ' ' LEU . 24.0 mt . . . . . 0 N--CA 1.454 -0.257 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -40.16 -52.81 2.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.19 -44.73 83.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.648 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.3 mt-30 -55.78 -50.19 71.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.324 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.488 HG11 ' HB3' ' A' ' 58' ' ' PRO . 50.2 t -68.82 -48.96 68.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -49.47 -48.64 47.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -71.35 -40.23 70.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.656 HD21 HD12 ' A' ' 76' ' ' ILE . 3.9 tp -60.63 -53.5 56.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.48 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.2 m-30 -44.7 -59.08 2.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -53.34 -49.75 66.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.276 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -42.94 -63.87 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.492 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 58.6 mmtt -44.03 -62.76 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 48.2 t80 -50.25 -43.39 53.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.067 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.494 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -63.0 -38.56 91.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -62.96 -46.08 89.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.05 -19.54 19.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.512 HG13 ' HB2' ' A' ' 26' ' ' ALA . 4.7 pt -122.4 17.74 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 24' ' ' ILE . 3.2 mmtt 39.12 60.88 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.512 ' HB2' HG13 ' A' ' 24' ' ' ILE . . . -107.98 126.85 53.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -95.84 10.97 35.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.357 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -124.05 169.79 16.19 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 111.058 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 117.27 4.85 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.438 1.757 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.486 HG11 HD11 ' A' ' 24' ' ' ILE . 12.7 m -109.05 164.99 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 0.0 109.319 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.8 m -103.35 145.98 29.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.48 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 42.9 mt -102.75 118.82 57.51 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.465 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.0 Cg_endo -75.04 108.13 2.64 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.466 1.772 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.721 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 11.2 m-85 -79.66 -36.8 1.09 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.721 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.1 Cg_endo -74.92 -69.49 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.537 1.809 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 35' ' ' PRO . 44.1 mt -35.79 -52.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.465 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 2.4 m-85 -51.67 -51.26 57.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 35' ' ' PRO . 1.8 mm-40 -49.8 -41.03 43.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 t -72.7 -29.26 63.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.954 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.404 ' C ' ' O ' ' A' ' 37' ' ' PHE . 26.3 m-70 -126.91 71.61 1.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.591 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.8 m -85.23 -13.66 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -83.2 -23.28 32.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.467 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 0.4 OUTLIER -112.84 -54.29 2.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.513 HD21 ' O ' ' A' ' 82' ' ' LYS . 92.1 mt -94.21 112.44 24.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.568 ' OH ' HG11 ' A' ' 79' ' ' VAL . 51.6 p90 -167.05 157.76 11.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.57 HG21 ' CE1' ' A' ' 55' ' ' PHE . 37.8 t -101.63 152.6 5.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 2.0 mt-10 -138.51 -178.9 5.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 110.249 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.63 1.64 66.87 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.471 1.107 . . . . 0.0 110.937 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.1 mt -69.65 155.1 94.11 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.56 0.8 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.954 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.95 -173.72 1.67 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.489 1.784 . . . . 0.0 111.074 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -85.72 138.66 31.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.413 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 70.01 29.23 70.85 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.954 HD12 ' HG2' ' A' ' 50' ' ' PRO . 6.4 mt -150.18 95.22 3.62 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.433 0.726 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -162.73 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.459 1.768 . . . . 0.0 111.015 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.57 ' CE1' HG21 ' A' ' 46' ' ' VAL . 12.6 t80 -107.42 79.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' ARG . 24.1 mmt180 -130.38 165.88 21.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 110.332 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.449 ' O ' HG22 ' A' ' 60' ' ' THR . 2.0 mtt180 -37.62 125.86 0.93 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.32 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.584 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.05 2.16 6.96 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.554 1.818 . . . . 0.0 110.954 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 98.2 p -94.73 8.59 42.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.064 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.449 HG22 ' O ' ' A' ' 57' ' ' ARG . 2.2 t -127.96 2.44 5.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.415 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.584 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 7.3 m-85 -90.97 153.79 19.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.78 163.83 54.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.651 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 2.1 mp -57.36 -43.67 99.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.562 0.801 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.97 -33.08 4.9 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.464 1.771 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.674 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -63.71 -39.44 94.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 110.266 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 76.9 mt -68.22 -49.64 59.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.245 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -44.02 -62.24 1.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.419 1.075 . . . . 0.0 110.279 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.448 ' HA ' HD12 ' A' ' 71' ' ' LEU . 9.0 mtt-85 -45.19 -53.02 8.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.238 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.66 HD11 ' CG2' ' A' ' 53' ' ' ILE . 89.9 mt -49.91 -39.28 15.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.648 HD11 ' HB2' ' A' ' 11' ' ' GLN . 65.0 mt -71.52 -33.05 68.84 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 68' ' ' ARG . 12.4 mt -79.31 -15.43 57.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -101.51 -5.19 25.52 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.411 1.07 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.496 ' HB2' HD11 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -45.67 -50.34 13.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -49.59 -22.45 1.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.246 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 72' ' ' ALA . 22.4 mmt180 -104.43 -38.81 6.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.656 HD12 HD21 ' A' ' 15' ' ' LEU . 41.9 mt -39.44 145.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.427 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 2.5 ttt180 -161.35 145.04 12.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.492 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 4.4 m-85 -110.51 108.45 18.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.568 HG11 ' OH ' ' A' ' 45' ' ' TYR . 21.5 t -87.98 105.94 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 7.9 mm -98.35 61.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.176 . . . . 0.0 109.255 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.467 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 1.6 mttp -44.49 -56.74 4.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.513 ' O ' HD21 ' A' ' 44' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.788 HD22 HD12 ' A' ' 70' ' ' LEU . 83.5 mt . . . . . 0 N--CA 1.453 -0.311 0 N-CA-C 109.301 -0.629 . . . . 0.0 109.301 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -37.96 -56.79 1.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.37 -48.93 73.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.352 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.609 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.9 mt-30 -52.66 -47.86 66.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.347 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.504 HG11 ' HB3' ' A' ' 58' ' ' PRO . 54.6 t -69.6 -46.11 76.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.408 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 36.8 mt-10 -50.77 -52.78 37.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 110.269 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.97 -34.39 77.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.894 HD21 HD12 ' A' ' 76' ' ' ILE . 1.1 tp -66.27 -56.91 8.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -43.22 -55.99 3.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.408 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 3.0 mt-10 -59.66 -49.4 77.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.8 mmt-85 -43.86 -61.0 1.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.209 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.568 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 38.7 mmtt -48.36 -59.13 3.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 59.1 t80 -51.97 -53.76 37.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.599 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -53.96 -39.57 66.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -65.82 -38.45 88.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.4 -12.82 46.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.2 pt -126.11 3.69 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER 56.33 58.91 3.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.599 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -108.57 120.93 43.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -93.4 28.85 2.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.355 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -143.37 170.08 25.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 117.81 5.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.0 m -112.41 162.47 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.379 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 99.9 m -103.58 143.86 32.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.399 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 51.9 mt -99.22 118.22 62.84 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.456 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 18.1 Cg_endo -75.03 115.83 4.4 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.52 1.8 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.747 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 24.9 m-85 -77.49 -33.77 1.09 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.747 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.4 Cg_endo -75.02 -68.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.456 ' HB2' ' HB2' ' A' ' 33' ' ' PRO . 77.5 mt -37.15 -45.53 0.63 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.574 1.171 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.469 ' O ' HG13 ' A' ' 41' ' ' VAL . 9.5 m-85 -70.33 -44.0 69.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.419 1.075 . . . . 0.0 111.039 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 35' ' ' PRO . 20.1 tp60 -57.55 -50.15 74.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.3 -22.59 61.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.003 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -126.57 72.07 1.32 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.666 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 37' ' ' PHE . 4.6 m -91.64 -6.78 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -85.0 -29.03 25.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.253 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.408 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 16.4 m-20 -107.39 -50.69 3.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.5 mt -94.83 117.06 29.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.496 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 12.0 p90 -165.16 150.47 9.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 110.955 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.671 HG21 ' CE1' ' A' ' 55' ' ' PHE . 6.1 t -93.84 151.06 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -135.21 178.93 6.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.377 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.74 2.37 69.81 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.2 mt -71.33 153.99 93.82 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.453 0.737 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.936 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.95 -177.4 3.43 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -82.32 139.24 34.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.41 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 70.08 29.3 70.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.561 1.163 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.936 HD12 ' HG2' ' A' ' 50' ' ' PRO . 7.9 mt -150.48 95.18 3.56 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 109.34 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.82 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.671 ' CE1' HG21 ' A' ' 46' ' ' VAL . 13.6 t80 -107.17 87.29 2.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.438 ' N ' ' OH ' ' A' ' 61' ' ' TYR . 26.0 mmt180 -138.31 166.01 25.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.2 OUTLIER -36.55 126.76 0.73 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.514 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.05 0.69 8.62 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.789 . . . . 0.0 110.948 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 t -97.23 8.38 44.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.991 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 60' ' ' THR . 0.5 OUTLIER -125.75 3.91 7.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.407 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.672 ' HB2' HD21 ' A' ' 66' ' ' LEU . 6.9 m-85 -93.23 159.28 15.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.9 163.71 52.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.42 1.075 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.649 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.9 mp -57.6 -43.89 99.15 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.55 0.794 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.04 -33.5 4.5 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.496 1.787 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.605 ' HD3' HG23 ' A' ' 53' ' ' ILE . 1.1 mtt180 -63.73 -40.33 96.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.672 HD21 ' HB2' ' A' ' 61' ' ' TYR . 80.9 mt -66.28 -53.27 38.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.408 ' HG2' HD21 ' A' ' 8' ' ' LEU . 1.2 mt-10 -40.2 -59.87 1.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.342 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.464 ' HD3' HD11 ' A' ' 53' ' ' ILE . 0.6 OUTLIER -47.85 -52.77 17.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.49 ' O ' HD11 ' A' ' 76' ' ' ILE . 94.2 mt -48.86 -35.0 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.788 HD12 HD22 ' A' ' 8' ' ' LEU . 75.6 mt -78.43 -30.45 47.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 68' ' ' ARG . 71.6 mt -78.48 -19.27 53.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . -99.5 -0.85 39.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.489 ' HB2' HD11 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -49.29 -39.57 31.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -59.67 -14.73 15.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 110.263 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 76' ' ' ILE . 0.4 OUTLIER -115.12 -36.31 4.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.22 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.894 HD12 HD21 ' A' ' 15' ' ' LEU . 16.1 mt -39.0 142.84 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 12.3 ttt180 -162.62 144.34 10.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.248 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.568 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 5.8 m-85 -110.22 106.42 15.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.608 ' O ' HD13 ' A' ' 80' ' ' ILE . 25.5 t -83.84 140.19 16.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.608 HD13 ' O ' ' A' ' 79' ' ' VAL . 3.5 mm -128.31 74.58 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.439 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -58.12 -51.25 70.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 1.1 mttt . . . . . 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.706 HD22 HD12 ' A' ' 70' ' ' LEU . 64.4 mt . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 109.266 -0.642 . . . . 0.0 109.266 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.49 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -43.93 -54.22 5.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.297 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -45.55 81.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.229 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.527 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.0 mt-30 -55.37 -52.1 64.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 50.2 t -66.4 -45.05 90.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.4 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 40.5 mt-10 -49.84 -52.15 34.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.29 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.33 -40.6 81.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.296 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.769 HD21 HD12 ' A' ' 76' ' ' ILE . 1.1 tp -59.86 -56.54 20.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.466 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.0 m-30 -42.37 -57.12 2.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 111.047 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.4 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 2.9 mt-10 -58.58 -51.14 71.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.44 -61.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.533 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 29.8 mmtt -48.26 -54.52 13.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 39.3 t80 -55.75 -51.27 67.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.957 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -57.82 -42.66 84.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.382 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -60.81 -40.05 91.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.173 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.56 -37.72 82.18 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.416 HD11 HG11 ' A' ' 30' ' ' VAL . 7.2 pt -99.55 7.76 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.368 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 21' ' ' ALA . 4.0 mmtt 51.52 60.18 4.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.427 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -111.3 126.49 54.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.44 27.57 3.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -141.32 170.0 24.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.561 1.163 . . . . 0.0 111.071 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 117.24 4.85 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 111.075 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.419 HG22 ' HB2' ' A' ' 21' ' ' ALA . 7.9 m -110.11 163.66 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.167 . . . . 0.0 109.356 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 92.4 m -103.33 144.08 31.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.423 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.466 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 48.5 mt -97.1 115.62 65.78 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.442 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.3 Cg_endo -74.97 113.06 3.71 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.479 1.778 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.759 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 22.4 m-85 -77.73 -33.3 1.0 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 111.051 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.759 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.2 Cg_endo -74.94 -69.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.533 1.807 . . . . 0.0 111.031 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 35' ' ' PRO . 55.7 mt -36.77 -49.48 0.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.38 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.442 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 6.4 m-85 -61.2 -47.24 87.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.587 1.179 . . . . 0.0 110.951 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 35' ' ' PRO . 1.9 mm-40 -60.35 -32.08 70.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.236 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.67 -36.02 62.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 59.4 m-70 -124.17 66.77 1.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.6 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.4 m -76.15 -8.49 11.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -86.92 -23.13 25.26 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.586 1.179 . . . . 0.0 110.2 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.481 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 18.8 m-20 -113.14 -56.37 2.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.238 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.515 HD21 ' O ' ' A' ' 82' ' ' LYS . 40.1 mt -90.85 112.57 24.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.253 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.691 ' OH ' HG11 ' A' ' 79' ' ' VAL . 46.0 p90 -164.19 162.53 22.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.614 HG21 ' CE1' ' A' ' 55' ' ' PHE . 6.4 t -103.46 147.44 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 7.7 mt-10 -134.39 -179.68 5.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.69 1.94 68.18 Favored Glycine 0 CA--C 1.528 0.895 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.484 HD13 ' O ' ' A' ' 54' ' ' PRO . 50.2 mt -68.98 153.56 95.97 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.439 0.729 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.906 ' HG2' HD12 ' A' ' 53' ' ' ILE . 17.9 Cg_endo -75.08 178.49 7.21 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.466 1.771 . . . . 0.0 110.913 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.21 138.0 38.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.4 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 70.13 30.05 70.03 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.554 1.159 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.906 HD12 ' HG2' ' A' ' 50' ' ' PRO . 11.2 mt -150.43 96.43 3.43 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.484 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.03 -162.12 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.457 1.767 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.614 ' CE1' HG21 ' A' ' 46' ' ' VAL . 8.7 t80 -109.54 86.96 2.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 57' ' ' ARG . 21.4 mmt85 -137.75 165.9 25.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.3 OUTLIER -36.0 126.18 0.67 Allowed Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.554 1.159 . . . . 0.0 110.31 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.492 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.04 1.42 7.78 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.558 1.82 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.49 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 27.4 p -96.91 6.1 49.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.042 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -123.0 -3.56 8.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.676 ' HB2' HD21 ' A' ' 66' ' ' LEU . 5.6 m-85 -84.71 157.16 21.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.45 163.76 53.03 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.65 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 13.3 mt -57.64 -43.84 99.09 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.533 0.784 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.02 -32.13 5.61 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.459 1.768 . . . . 0.0 110.968 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.56 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.9 OUTLIER -65.31 -42.92 92.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.339 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.676 HD21 ' HB2' ' A' ' 61' ' ' TYR . 92.4 mt -64.17 -52.03 60.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.02 -58.8 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.466 ' HD3' HD11 ' A' ' 53' ' ' ILE . 5.0 mtp180 -49.88 -51.16 42.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.492 ' O ' HD11 ' A' ' 76' ' ' ILE . 87.4 mt -50.89 -32.22 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.706 HD12 HD22 ' A' ' 8' ' ' LEU . 84.4 mt -80.87 -29.69 35.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 68.7 mt -80.99 -20.77 41.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . -97.32 -2.71 41.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.468 ' HB2' HD11 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -47.17 -43.99 21.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -54.89 -21.08 10.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 110.328 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 72' ' ' ALA . 6.4 mtt-85 -107.09 -37.23 6.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.769 HD12 HD21 ' A' ' 15' ' ' LEU . 19.9 mt -38.9 142.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.097 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 10.3 ttt180 -162.52 145.26 11.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.551 1.157 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.533 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 7.7 m-85 -109.65 107.33 17.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.691 HG11 ' OH ' ' A' ' 45' ' ' TYR . 35.7 t -85.21 110.03 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.2 mm -100.55 60.19 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.481 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 3.0 mtmt -44.59 -57.13 3.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.515 ' O ' HD21 ' A' ' 44' ' ' LEU . 7.6 mttm . . . . . 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.754 HD22 HD12 ' A' ' 70' ' ' LEU . 32.2 mt . . . . . 0 N--CA 1.453 -0.309 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.478 ' HD3' ' CB ' ' A' ' 59' ' ' SER . 3.5 ttm180 -37.35 -56.81 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.479 ' CD ' ' HG3' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -54.14 -62.0 1.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.504 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.5 mt-30 -38.52 -41.1 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.33 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.455 HG11 ' HB3' ' A' ' 58' ' ' PRO . 55.3 t -76.7 -44.95 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 10' ' ' LYS . 44.6 mt-10 -53.15 -48.83 67.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.276 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . 0.479 ' HG3' ' CD ' ' A' ' 10' ' ' LYS . 4.9 mm-40 -68.14 -40.54 82.42 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.554 1.159 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.644 HD21 HD12 ' A' ' 76' ' ' ILE . 2.3 tp -61.88 -51.86 66.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.477 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.6 m-30 -46.28 -54.48 8.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 3.0 mt-10 -59.44 -49.11 79.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.584 1.178 . . . . 0.0 110.308 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -42.3 -63.91 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.565 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 40.4 mmtt -43.85 -61.81 1.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -51.96 -53.59 39.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -52.98 -38.71 62.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -67.87 -38.8 83.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.93 -16.46 61.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 109.253 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.8 pt -121.71 2.48 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 21' ' ' ALA . 4.0 mmmt 55.67 63.11 2.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.259 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -114.33 124.37 51.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -94.75 27.07 3.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -141.03 170.11 24.69 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 117.01 4.76 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.432 1.753 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.3 m -111.18 165.76 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.5 m -103.57 141.7 35.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.477 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 24.0 mt -97.76 123.71 50.79 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.448 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 18.4 Cg_endo -75.01 105.74 2.14 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.524 1.802 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.708 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 11.3 m-85 -80.5 -37.26 1.0 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 111.038 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.708 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.6 Cg_endo -74.96 -68.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.435 1.755 . . . . 0.0 111.032 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.448 ' HB2' ' HB2' ' A' ' 33' ' ' PRO . 35.4 mt -36.49 -53.81 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 2.0 m-85 -50.57 -49.82 55.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -53.87 -36.9 63.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.381 179.895 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.36 -26.88 52.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.044 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 61.9 m-70 -128.16 66.54 1.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.587 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.4 m -81.05 -9.52 11.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -85.96 -20.34 29.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.459 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 0.6 OUTLIER -116.06 -50.58 2.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.071 . . . . 0.0 109.278 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.402 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 75.2 mt -96.49 119.4 34.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.46 ' CE2' ' HG3' ' A' ' 81' ' ' LYS . 14.2 p90 -169.75 151.91 4.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.724 HG21 ' CE1' ' A' ' 55' ' ' PHE . 27.1 t -96.42 151.24 4.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 13.4 mt-10 -136.71 175.5 9.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.49 1.81 83.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.497 HD13 ' O ' ' A' ' 54' ' ' PRO . 53.0 mt -70.41 152.58 95.46 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.545 0.791 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.941 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.0 Cg_endo -75.14 171.52 18.15 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.454 1.765 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -71.77 141.42 49.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.409 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 68.05 29.24 73.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.941 HD12 ' HG2' ' A' ' 50' ' ' PRO . 9.4 mt -150.69 97.35 3.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.412 0.713 . . . . 0.0 109.319 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.497 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.99 -162.25 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.572 1.828 . . . . 0.0 110.982 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.724 ' CE1' HG21 ' A' ' 46' ' ' VAL . 9.3 t80 -109.59 78.63 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' ARG . 17.7 mmt85 -129.63 165.33 22.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.207 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.473 ' HB3' HG23 ' A' ' 60' ' ' THR . 4.0 mtt180 -37.57 126.64 0.91 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 110.262 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.576 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.02 2.34 6.74 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.517 1.798 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.478 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 1.8 p -92.8 2.3 56.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.992 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.473 HG23 ' HB3' ' A' ' 57' ' ' ARG . 1.7 p -119.97 -9.04 9.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.429 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.576 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 6.9 m-30 -78.69 153.57 30.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.39 164.07 54.85 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.558 1.162 . . . . 0.0 111.025 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.65 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.4 mp -56.98 -43.73 99.52 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.464 0.744 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.99 -33.2 4.78 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.49 1.784 . . . . 0.0 110.97 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.563 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.4 OUTLIER -63.8 -40.72 97.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.307 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 75.5 mt -66.37 -51.4 57.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.624 1.202 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -42.29 -59.15 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.376 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 72' ' ' ALA . 4.8 mtp180 -48.42 -52.9 19.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 110.287 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.531 HG23 HD11 ' A' ' 76' ' ' ILE . 89.4 mt -49.52 -39.62 14.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.754 HD12 HD22 ' A' ' 8' ' ' LEU . 83.6 mt -72.88 -27.47 61.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 68' ' ' ARG . 61.0 mt -81.89 -25.07 35.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -94.14 -3.42 51.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.4 1.063 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.475 ' HB2' HD11 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -46.45 -39.07 10.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -57.93 -28.17 64.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.378 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 72' ' ' ALA . 4.6 mtt180 -99.99 -37.19 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.644 HD12 HD21 ' A' ' 15' ' ' LEU . 29.3 mt -38.82 143.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 12.4 ttt180 -161.09 145.23 13.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.565 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 4.9 m-85 -109.83 107.81 17.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.51 ' O ' HD13 ' A' ' 80' ' ' ILE . 19.7 t -88.11 133.03 31.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.51 HD13 ' O ' ' A' ' 79' ' ' VAL . 3.0 mm -125.23 72.9 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.46 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -55.73 -49.46 73.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.399 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.451 HD22 HD12 ' A' ' 70' ' ' LEU . 81.8 mt . . . . . 0 N--CA 1.452 -0.332 0 N-CA-C 109.294 -0.632 . . . . 0.0 109.294 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.465 ' HD3' ' CB ' ' A' ' 59' ' ' SER . 1.1 ttm180 -41.22 -46.68 3.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.595 1.185 . . . . 0.0 110.398 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -63.96 -47.64 79.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.916 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.6 mt-30 -52.25 -43.38 64.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.501 HG11 ' HB3' ' A' ' 58' ' ' PRO . 48.8 t -75.38 -45.83 39.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.406 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 33.6 mt-10 -51.44 -45.88 62.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.26 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -70.71 -34.73 72.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.381 1.051 . . . . 0.0 110.276 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.823 HD21 HD12 ' A' ' 76' ' ' ILE . 1.1 tp -68.94 -60.08 2.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.477 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.7 m-30 -39.04 -52.57 1.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.406 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 5.5 mt-10 -63.35 -49.16 74.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.583 1.177 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.3 mtt180 -44.18 -62.63 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.564 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 36.6 mmtt -46.47 -58.53 3.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.261 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 34.0 t80 -52.8 -51.84 59.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 110.97 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -57.38 -42.92 83.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -60.14 -42.62 95.26 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.428 1.08 . . . . 0.0 110.348 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.21 -35.81 74.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.237 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.457 HD11 HG11 ' A' ' 30' ' ' VAL . 7.5 pt -103.49 13.4 7.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' ALA . 1.4 mmpt? 44.59 62.74 1.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.414 ' HB2' HG13 ' A' ' 24' ' ' ILE . . . -114.76 122.4 46.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.88 28.55 2.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.91 170.5 24.25 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 116.67 4.66 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.446 1.761 . . . . 0.0 110.99 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.457 HG11 HD11 ' A' ' 24' ' ' ILE . 5.3 m -110.81 163.37 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.2 m -103.37 141.81 35.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.477 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 64.9 mt -99.22 117.2 64.44 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.454 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 18.1 Cg_endo -75.02 111.26 3.28 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.563 1.823 . . . . 0.0 111.041 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.731 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 12.3 m-85 -79.6 -36.39 1.06 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.731 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -75.04 -70.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.404 1.739 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 35' ' ' PRO . 33.6 mt -35.47 -51.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.252 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.58 ' CE1' ' HB3' ' A' ' 44' ' ' LEU . 2.7 m-85 -52.92 -51.3 61.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -49.49 -40.31 36.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.58 -30.08 65.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.97 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' PHE . 24.4 m-70 -128.13 71.8 1.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.61 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.3 m -81.3 -9.67 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -93.35 -11.96 31.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 1.076 . . . . 0.0 110.326 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.422 ' HA ' ' HB2' ' A' ' 81' ' ' LYS . 14.3 m-20 -118.93 -50.16 2.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.58 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 49.6 mt -108.37 112.34 24.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.153 . . . . 0.0 109.349 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -167.74 157.21 10.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.744 HG21 ' CE1' ' A' ' 55' ' ' PHE . 27.7 t -98.64 145.0 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.425 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 3.9 mt-10 -132.25 179.66 5.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.174 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.05 1.8 69.73 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.5 1.125 . . . . 0.0 111.083 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.572 HD13 ' O ' ' A' ' 54' ' ' PRO . 50.5 mt -67.16 153.13 95.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.444 0.732 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.92 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -75.0 -179.99 5.53 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.574 1.829 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.26 139.78 37.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.209 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.422 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 69.32 28.87 72.16 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.538 1.149 . . . . 0.0 111.045 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.92 HD12 ' HG2' ' A' ' 50' ' ' PRO . 7.4 mt -150.72 97.3 3.28 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.446 0.733 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.572 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.98 -161.39 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.744 ' CE1' HG21 ' A' ' 46' ' ' VAL . 9.4 t80 -109.34 79.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 57' ' ' ARG . 4.6 mmt-85 -129.9 165.2 22.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 110.354 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 56' ' ' ARG . 10.1 mtm180 -36.71 131.04 0.69 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.262 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.501 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.02 1.42 7.77 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.465 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -97.57 6.86 47.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.963 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.2 p -120.84 -6.3 9.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.429 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 9.6 m-85 -86.5 153.74 21.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.064 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.401 ' C ' ' HD2' ' A' ' 64' ' ' PRO . . . -74.7 164.53 54.61 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.647 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 4.9 mt -56.68 -43.87 99.53 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.53 0.782 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.6 Cg_endo -74.99 -33.44 4.59 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -64.58 -40.39 95.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 110.224 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 75.1 mt -66.23 -53.1 41.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.34 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -39.78 -57.41 1.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.437 1.085 . . . . 0.0 110.284 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.407 ' O ' ' N ' ' A' ' 71' ' ' LEU . 7.5 mtt-85 -50.97 -51.35 53.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.56 HD11 ' CG2' ' A' ' 53' ' ' ILE . 92.3 mt -50.73 -31.3 9.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.916 HD11 ' HB2' ' A' ' 11' ' ' GLN . 38.5 mt -81.98 -29.27 32.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 68' ' ' ARG . 75.1 mt -80.4 -15.88 55.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -103.19 -3.49 25.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.433 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -45.7 -40.18 8.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.236 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -55.96 -30.65 62.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.25 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 72' ' ' ALA . 1.0 OUTLIER -97.32 -36.63 10.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.263 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.823 HD12 HD21 ' A' ' 15' ' ' LEU . 17.3 mt -38.81 144.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 3.8 ttt85 -162.38 145.66 11.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.396 1.06 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.564 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 3.8 m-85 -112.82 111.5 22.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.94 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.47 HG12 ' HD2' ' A' ' 81' ' ' LYS . 18.3 t -92.54 109.75 21.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.458 ' HA ' HD23 ' A' ' 44' ' ' LEU . 7.0 mm -104.18 54.63 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.586 1.179 . . . . 0.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.47 ' HD2' HG12 ' A' ' 79' ' ' VAL . 5.7 mttp -39.63 -59.22 1.16 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.543 ' O ' HD21 ' A' ' 44' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.711 HD22 HD12 ' A' ' 70' ' ' LEU . 62.7 mt . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 109.268 -0.641 . . . . 0.0 109.268 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.492 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 1.9 ttm180 -39.15 -55.71 1.59 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.125 . . . . 0.0 110.339 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -54.59 -44.45 73.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.449 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.3 mt-30 -56.75 -48.86 76.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.502 HG11 ' HB3' ' A' ' 58' ' ' PRO . 55.5 t -69.06 -48.95 66.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -46.81 -47.96 20.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.438 1.086 . . . . 0.0 110.363 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -70.9 -40.45 72.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.735 HD21 HD12 ' A' ' 76' ' ' ILE . 1.8 tp -61.1 -59.6 5.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -38.61 -54.48 1.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -61.01 -50.38 73.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.18 -62.26 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.353 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 38.4 mmtt -49.23 -56.89 7.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 58.9 t80 -52.26 -54.3 33.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 111.038 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.644 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -54.69 -41.74 70.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -62.29 -39.32 92.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.39 -19.03 63.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 6.7 pt -121.04 8.54 6.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 21' ' ' ALA . 5.3 mmtt 52.04 59.31 4.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.644 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -108.69 119.8 40.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.69 29.51 2.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.169 . . . . 0.0 109.244 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.48 170.41 25.11 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 116.74 4.67 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.531 1.806 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.3 m -112.58 165.65 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.349 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.54 162.29 13.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.358 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.8 mt -121.45 115.11 31.34 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.355 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.46 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 18.5 Cg_endo -74.95 116.72 4.67 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.798 . . . . 0.0 111.036 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.751 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 17.7 m-85 -76.62 -33.03 1.11 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.751 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.6 Cg_endo -74.97 -67.16 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.46 ' HB2' ' HB2' ' A' ' 33' ' ' PRO . 81.8 mt -39.02 -45.96 1.29 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -70.82 -40.16 72.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 35' ' ' PRO . 0.6 OUTLIER -65.96 -39.27 90.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.155 . . . . 0.0 110.313 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.96 -27.99 60.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.039 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -125.18 70.54 1.17 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.56 1.162 . . . . 0.0 109.584 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.9 m -83.94 -6.18 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -89.74 -22.13 22.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.407 1.067 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.438 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 2.5 m-20 -111.78 -52.53 2.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.604 1.19 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 62.6 mt -98.67 114.55 27.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.576 1.173 . . . . 0.0 109.325 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.501 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 11.6 p90 -161.9 149.84 14.8 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.563 1.165 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.594 HG21 ' CE1' ' A' ' 55' ' ' PHE . 5.2 t -94.25 147.96 5.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -132.38 179.57 6.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 110.31 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.87 1.69 68.33 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 54' ' ' PRO . 62.9 mt -69.32 152.94 96.33 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.604 0.826 . . . . 0.0 109.363 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.942 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.99 175.22 11.52 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.549 1.815 . . . . 0.0 111.028 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.63 140.07 42.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.418 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 69.54 29.2 71.61 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.942 HD12 ' HG2' ' A' ' 50' ' ' PRO . 8.0 mt -150.91 96.25 3.34 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.402 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.94 -160.11 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.494 1.786 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.594 ' CE1' HG21 ' A' ' 46' ' ' VAL . 16.5 t80 -110.98 88.57 2.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.484 ' N ' ' OH ' ' A' ' 61' ' ' TYR . 24.8 mmt-85 -139.11 165.83 26.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.219 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' ARG . 2.8 mtt180 -37.04 125.69 0.81 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.34 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.502 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -75.0 1.37 7.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.538 1.81 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.492 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 9.3 p -93.39 8.01 42.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.001 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.3 p -119.86 -34.78 3.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.074 . . . . 0.0 110.4 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.597 ' HB2' HD21 ' A' ' 66' ' ' LEU . 11.4 m-85 -53.56 158.39 1.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . 0.412 ' C ' ' HD2' ' A' ' 64' ' ' PRO . . . -79.58 164.7 49.22 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.461 1.101 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.656 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 2.3 mp -56.97 -43.44 99.4 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.437 0.728 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.656 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.0 -35.62 3.03 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.512 1.796 . . . . 0.0 111.047 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.602 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -64.15 -39.72 94.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.597 HD21 ' HB2' ' A' ' 61' ' ' TYR . 71.2 mt -65.22 -54.28 31.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -38.79 -57.81 1.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 110.256 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 72' ' ' ALA . 4.1 mtp180 -49.53 -52.22 31.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.233 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.568 HD11 ' CG2' ' A' ' 53' ' ' ILE . 86.6 mt -51.09 -30.86 10.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.711 HD12 HD22 ' A' ' 8' ' ' LEU . 82.5 mt -82.22 -31.4 30.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.9 mt -78.01 -23.89 48.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -95.4 -3.7 46.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.511 ' HB2' HD11 ' A' ' 15' ' ' LEU . 2.0 ptmt -43.27 -42.86 4.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.397 1.061 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -52.56 -36.97 56.89 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.482 ' N ' ' O ' ' A' ' 72' ' ' ALA . 2.3 mtm-85 -90.32 -38.8 13.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.735 HD12 HD21 ' A' ' 15' ' ' LEU . 12.8 mt -37.18 141.84 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 1.9 ttp180 -161.76 144.23 11.76 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 6.4 m-85 -109.48 110.32 21.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.501 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 31.7 t -88.91 136.8 22.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.494 HD13 ' O ' ' A' ' 79' ' ' VAL . 3.6 mm -125.04 77.12 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.438 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -60.03 -43.18 95.5 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.844 HD22 HD12 ' A' ' 70' ' ' LEU . 47.3 mt . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 109.302 -0.629 . . . . 0.0 109.302 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.495 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 3.2 ttm180 -43.71 -50.19 7.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -60.94 -47.58 85.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.242 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.595 ' HB2' HD11 ' A' ' 70' ' ' LEU . 3.1 mt-30 -52.84 -41.09 63.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 48.7 t -74.71 -47.07 39.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.402 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 59.2 mt-10 -53.0 -49.76 65.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.336 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -67.87 -37.39 81.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.832 HD21 HD12 ' A' ' 76' ' ' ILE . 0.8 OUTLIER -62.89 -53.49 53.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.435 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 3.4 m-30 -44.44 -58.4 2.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 2.0 mp0 -57.17 -47.51 81.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.41 -62.94 1.14 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.53 1.144 . . . . 0.0 110.238 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.516 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 41.0 mmtt -45.28 -55.82 5.5 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.444 1.09 . . . . 0.0 109.406 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 61.6 t80 -54.65 -54.54 40.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -52.04 -40.77 61.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -63.65 -38.43 91.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.3 -29.87 70.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.6 pt -107.99 6.02 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 21' ' ' ALA . 29.2 mmtt 53.18 60.85 3.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.428 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -112.65 124.47 52.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.593 1.183 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -94.53 28.48 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.388 1.055 . . . . 0.0 109.309 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.1 170.31 25.01 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 117.71 5.0 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 110.966 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.0 m -112.68 164.32 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.6 m -103.51 140.94 36.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 110.393 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.435 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 43.5 mt -93.95 123.06 60.53 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.459 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.5 Cg_endo -74.99 104.23 1.87 Allowed 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.515 1.797 . . . . 0.0 111.089 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.744 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 3.9 m-30 -75.63 -34.84 1.63 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.55 1.156 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.744 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -74.97 -65.58 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.463 1.77 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 13.9 mt -40.09 -47.81 2.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.575 ' O ' HG13 ' A' ' 41' ' ' VAL . 3.6 m-85 -58.13 -49.43 77.01 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.57 -43.45 72.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.07 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.32 -33.48 65.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.996 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -123.89 67.97 1.04 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.597 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 37' ' ' PHE . 10.1 m -81.38 -8.61 11.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -94.14 -10.23 33.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.259 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -113.01 -44.06 3.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.698 HD21 ' O ' ' A' ' 82' ' ' LYS . 8.2 mt -116.39 122.24 44.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.65 ' OH ' HG11 ' A' ' 79' ' ' VAL . 31.1 p90 -162.3 153.96 18.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 111.03 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.722 HG21 ' CE1' ' A' ' 55' ' ' PHE . 21.3 t -97.21 133.56 38.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.427 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 3.5 mt-10 -120.55 -179.55 4.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.338 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.46 2.02 67.06 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.553 1.158 . . . . 0.0 111.048 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.4 HD13 ' O ' ' A' ' 54' ' ' PRO . 35.2 mt -68.66 152.55 96.63 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.75 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.913 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.08 -177.44 3.48 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.401 1.737 . . . . 0.0 110.986 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -82.52 138.13 34.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.242 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.409 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 70.2 29.87 70.04 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.413 1.071 . . . . 0.0 110.925 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.913 HD12 ' HG2' ' A' ' 50' ' ' PRO . 8.2 mt -150.29 95.33 3.58 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.4 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.04 -161.96 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.472 1.775 . . . . 0.0 110.997 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.722 ' CE1' HG21 ' A' ' 46' ' ' VAL . 18.4 t80 -109.49 88.34 2.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.47 ' O ' ' C ' ' A' ' 57' ' ' ARG . 17.0 mmt85 -140.21 166.36 24.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.47 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.6 OUTLIER -33.61 120.14 0.48 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.351 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.566 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.96 1.28 7.89 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.454 1.766 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.495 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 1.2 p -96.97 4.5 51.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.006 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.32 -6.02 9.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.431 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.746 ' HB2' HD21 ' A' ' 66' ' ' LEU . 4.9 m-85 -78.65 160.92 27.28 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.461 1.1 . . . . 0.0 111.072 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.0 163.23 52.21 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.648 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 41.2 mt -58.09 -43.87 98.79 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.749 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.01 -33.2 4.75 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.469 1.773 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.487 ' HD3' HG23 ' A' ' 53' ' ' ILE . 2.4 mtt180 -62.83 -42.28 99.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.746 HD21 ' HB2' ' A' ' 61' ' ' TYR . 94.1 mt -65.41 -55.07 20.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -38.02 -55.65 1.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 71' ' ' LEU . 6.3 mtp180 -53.14 -54.14 40.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 110.302 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.474 HD11 ' CG2' ' A' ' 53' ' ' ILE . 93.1 mt -47.35 -34.08 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.844 HD12 HD22 ' A' ' 8' ' ' LEU . 71.3 mt -77.68 -35.48 52.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.418 1.073 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 68' ' ' ARG . 82.2 mt -74.21 -21.22 59.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -97.55 -5.06 36.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.228 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.502 ' HB2' HD11 ' A' ' 15' ' ' LEU . 1.3 ptmt -43.53 -48.9 7.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -48.81 -33.1 9.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 72' ' ' ALA . 1.8 mtm180 -93.15 -38.22 11.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.577 1.173 . . . . 0.0 110.315 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.832 HD12 HD21 ' A' ' 15' ' ' LEU . 14.7 mt -38.62 141.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.442 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 8.4 ttt180 -163.5 144.0 8.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.516 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 7.2 m-85 -108.2 111.7 23.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 111.035 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.65 HG11 ' OH ' ' A' ' 45' ' ' TYR . 24.4 t -91.56 108.69 20.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . 0.458 HG23 HD22 ' A' ' 44' ' ' LEU . 7.0 mm -101.34 82.49 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -60.89 3.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.698 ' O ' HD21 ' A' ' 44' ' ' LEU . 4.2 mmtt . . . . . 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' LEU . . . . . 0.563 ' CD2' HD12 ' A' ' 70' ' ' LEU . 19.5 mt . . . . . 0 N--CA 1.453 -0.282 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . 0.476 ' HD3' ' CB ' ' A' ' 59' ' ' SER . 1.1 ttm180 -41.2 -44.94 2.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.302 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.9 tptp -64.72 -44.23 90.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.382 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLN . . . . . 0.562 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.7 mt-30 -56.61 -44.82 81.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 110.275 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.447 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 46.6 t -74.75 -42.34 47.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' GLU . . . . . 0.42 ' CG ' ' HG2' ' A' ' 58' ' ' PRO . 59.6 mt-10 -55.98 -49.01 74.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -69.61 -40.53 76.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.181 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.756 HD21 HD12 ' A' ' 76' ' ' ILE . 7.1 tp -60.06 -50.2 74.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.483 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.5 m-30 -48.24 -63.1 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . 0.4 ' N ' HD11 ' A' ' 32' ' ' ILE . 2.4 mt-10 -49.74 -49.0 49.75 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.556 1.16 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.08 -66.68 0.35 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . 0.47 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 35.7 mmtt -41.88 -60.56 1.35 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 50.7 t80 -49.96 -49.43 50.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.474 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -59.36 -40.44 86.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -60.51 -44.27 96.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.97 -31.04 66.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ILE . . . . . 0.494 HG13 ' HB2' ' A' ' 26' ' ' ALA . 3.9 pt -110.03 16.11 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.31 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' ALA . 6.2 mtmt 40.7 60.67 1.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ALA . . . . . 0.494 ' HB2' HG13 ' A' ' 24' ' ' ILE . . . -106.6 121.72 44.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -93.83 29.65 2.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -143.25 170.05 25.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.581 1.176 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 116.82 4.71 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 0.0 111.024 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.5 m -112.14 164.41 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 98.2 m -103.34 144.55 31.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.397 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.483 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 21.4 mt -98.31 120.43 59.55 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.454 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.3 Cg_endo -74.97 107.3 2.45 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.522 1.801 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' TYR . . . . . 0.715 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 11.8 m-85 -80.02 -37.08 1.06 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PRO . . . . . 0.715 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.5 Cg_endo -75.01 -69.45 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.528 1.804 . . . . 0.0 111.011 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 35' ' ' PRO . 34.3 mt -35.59 -51.9 0.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.244 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' A' ' 44' ' ' LEU . 2.1 m-85 -52.04 -51.31 58.31 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 35' ' ' PRO . 6.1 mm-40 -54.01 -37.45 64.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.26 -32.66 63.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.02 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -127.13 67.69 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.611 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 37' ' ' PHE . 11.9 m -79.81 -11.28 12.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -85.3 -13.8 48.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.33 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . 0.462 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 8.5 m-20 -116.45 -59.64 1.95 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.229 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LEU . . . . . 0.906 HD21 ' O ' ' A' ' 82' ' ' LYS . 10.9 mt -93.85 123.59 37.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' TYR . . . . . 0.859 ' OH ' HG11 ' A' ' 79' ' ' VAL . 43.0 p90 -169.76 157.04 6.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' VAL . . . . . 0.871 HG21 ' CE1' ' A' ' 55' ' ' PHE . 55.5 t -102.22 138.53 26.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 8.4 mt-10 -127.49 -178.04 4.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.347 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.92 1.6 68.3 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.4 HD13 ' O ' ' A' ' 54' ' ' PRO . 65.5 mt -68.14 156.36 90.05 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.941 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.0 Cg_endo -75.04 -169.29 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 110.97 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -89.19 137.38 32.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.264 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' GLY . . . . . 0.4 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 69.55 31.84 71.03 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.425 1.078 . . . . 0.0 110.913 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ILE . . . . . 0.941 HD12 ' HG2' ' A' ' 50' ' ' PRO . 11.1 mt -150.42 97.09 3.36 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.455 0.738 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PRO . . . . . 0.4 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.98 -163.36 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.475 1.776 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PHE . . . . . 0.871 ' CE1' HG21 ' A' ' 46' ' ' VAL . 13.5 t80 -109.24 80.41 1.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.098 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 57' ' ' ARG . 29.2 mmt-85 -130.22 165.43 22.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.502 ' O ' HG22 ' A' ' 60' ' ' THR . 5.7 mtt180 -38.72 124.84 1.18 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PRO . . . . . 0.602 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.02 3.67 5.43 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.53 1.805 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' SER . . . . . 0.476 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 5.1 p -94.38 8.51 41.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' THR . . . . . 0.502 HG22 ' O ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -132.9 7.31 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.415 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' TYR . . . . . 0.602 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 3.1 m-30 -91.18 156.84 17.56 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.17 163.16 54.89 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.491 1.12 . . . . 0.0 111.049 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ILE . . . . . 0.64 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 5.1 mt -57.46 -44.24 99.46 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.525 0.78 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.5 Cg_endo -74.88 -33.74 4.52 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.502 1.79 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ARG . . . . . 0.686 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.4 OUTLIER -62.49 -38.78 91.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.247 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 82.1 mt -70.14 -48.95 55.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -48.06 -62.4 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.319 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' ARG . . . . . 0.642 ' HD3' HD11 ' A' ' 53' ' ' ILE . 0.0 OUTLIER -42.66 -56.03 3.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.259 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.731 HG23 HD11 ' A' ' 76' ' ' ILE . 77.8 mt -46.26 -46.75 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.349 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' LEU . . . . . 0.563 HD12 ' CD2' ' A' ' 8' ' ' LEU . 85.5 mt -61.83 -34.43 75.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' ARG . 28.7 mt -80.24 -15.48 56.89 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -100.96 -8.57 22.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LYS . . . . . 0.559 ' HB2' HD11 ' A' ' 15' ' ' LEU . 2.0 ptmt -42.37 -51.59 4.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.232 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -45.53 -32.72 2.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 110.325 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 72' ' ' ALA . 6.6 mtt180 -93.72 -39.09 10.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.756 HD12 HD21 ' A' ' 15' ' ' LEU . 25.3 mt -38.65 143.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 1.4 ttt-85 -160.82 145.53 14.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' PHE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 5.3 m-85 -112.28 113.84 26.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' VAL . . . . . 0.859 HG11 ' OH ' ' A' ' 45' ' ' TYR . 21.2 t -94.34 103.47 14.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 0.0 109.378 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.0 mm -95.11 63.54 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LYS . . . . . 0.462 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 6.0 mttt -46.0 -60.77 2.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.239 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' LYS . . . . . 0.906 ' O ' HD21 ' A' ' 44' ' ' LEU . 0.3 OUTLIER . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.451 1.095 . . . . 0.0 109.35 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.041 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.6 p -114.59 126.19 54.63 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.571 0.806 . . . . 0.0 110.033 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.7 p -140.55 163.35 33.08 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.438 1.086 . . . . 0.0 110.015 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 125.93 -57.89 0.68 Allowed Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.513 1.133 . . . . 0.0 111.049 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 39.1 t -66.65 101.57 0.81 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.493 0.761 . . . . 0.0 109.976 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER 59.66 109.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.093 . . . . 0.0 110.012 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -144.09 142.87 11.5 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.468 1.105 . . . . 0.0 111.075 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.526 HD22 HD12 ' A' ' 70' ' ' LEU . 24.6 mt -40.46 -66.56 0.31 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.449 0.735 . . . . 0.0 109.315 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.48 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 2.3 ttm180 -40.61 -57.64 1.81 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.342 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -53.16 -45.1 68.31 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.537 1.148 . . . . 0.0 109.286 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.636 ' HB2' HD11 ' A' ' 70' ' ' LEU . 3.9 mt-30 -55.45 -48.1 75.0 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.543 1.152 . . . . 0.0 110.313 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.457 HG21 HD22 ' A' ' 66' ' ' LEU . 51.2 t -70.69 -46.14 70.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.441 1.088 . . . . 0.0 109.267 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.415 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 31.9 mt-10 -49.61 -48.41 49.02 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.451 1.095 . . . . 0.0 110.28 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -70.1 -34.63 73.38 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.87 HD21 HD12 ' A' ' 76' ' ' ILE . 3.5 tp -66.88 -58.63 4.63 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.485 1.116 . . . . 0.0 109.348 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.451 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.6 m-30 -42.17 -57.04 2.66 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.125 . . . . 0.0 110.991 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.415 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 4.2 mt-10 -60.15 -46.55 89.29 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.462 1.101 . . . . 0.0 110.327 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 1.2 mtm180 -47.25 -63.46 1.04 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 110.274 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.519 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 33.8 mmtt -47.77 -54.14 13.21 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.456 1.098 . . . . 0.0 109.301 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 51.7 t80 -54.55 -49.69 69.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.443 1.09 . . . . 0.0 110.997 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.549 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -57.02 -39.53 74.92 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.5 1.125 . . . . 0.0 109.345 -179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -61.25 -44.42 97.27 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.453 1.096 . . . . 0.0 110.271 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.51 -19.37 36.81 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.468 1.105 . . . . 0.0 109.28 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.527 HG13 ' HB2' ' A' ' 26' ' ' ALA . 4.4 pt -123.14 16.52 5.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.483 1.114 . . . . 0.0 109.332 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 21' ' ' ALA . 4.3 mttm 41.36 58.57 2.61 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.549 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -106.03 121.05 43.34 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.58 1.175 . . . . 0.0 109.28 -179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -93.83 19.42 8.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.459 1.099 . . . . 0.0 109.294 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -131.13 170.22 21.43 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.563 1.165 . . . . 0.0 110.925 -179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 117.24 4.85 Favored 'Trans proline' 0 C--N 1.361 1.185 0 O-C-N 124.449 1.763 . . . . 0.0 111.031 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.9 m -111.45 159.99 11.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.567 1.167 . . . . 0.0 109.266 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.9 m -103.75 140.27 37.85 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.47 1.106 . . . . 0.0 110.376 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.451 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 57.2 mt -97.83 114.22 64.71 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.569 1.168 . . . . 0.0 109.302 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 114.11 3.95 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.484 1.781 . . . . 0.0 111.015 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.719 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 12.0 m-85 -72.08 -36.18 3.96 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.608 1.193 . . . . 0.0 110.994 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.719 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.2 Cg_endo -75.03 -63.42 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.525 1.802 . . . . 0.0 110.962 -179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 34.3 mt -40.48 -38.67 0.88 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.53 1.144 . . . . 0.0 109.272 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.443 ' O ' HG13 ' A' ' 41' ' ' VAL . 8.5 m-85 -79.78 -39.77 30.18 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.442 1.089 . . . . 0.0 111.012 -179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.446 ' N ' ' O ' ' A' ' 35' ' ' PRO . 1.8 tt0 -65.46 -45.28 84.34 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.134 . . . . 0.0 110.323 179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -70.04 -27.78 64.93 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.056 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 75.2 m-70 -128.21 72.2 1.41 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.675 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.443 HG13 ' O ' ' A' ' 37' ' ' PHE . 6.8 m -85.64 -9.53 11.3 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.337 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -89.59 -1.12 57.93 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.532 1.145 . . . . 0.0 110.288 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.45 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 18.8 m-20 -129.18 -53.48 1.19 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.866 HD21 ' O ' ' A' ' 82' ' ' LYS . 12.5 mt -104.95 112.27 25.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.56 1.162 . . . . 0.0 109.26 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.558 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 19.2 p90 -155.47 152.98 29.6 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.544 1.152 . . . . 0.0 110.941 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.732 HG21 ' CE1' ' A' ' 55' ' ' PHE . 5.6 t -96.05 141.42 15.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.559 1.162 . . . . 0.0 109.238 -179.984 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 14.8 mt-10 -128.29 177.9 6.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.516 1.135 . . . . 0.0 110.331 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.26 1.51 75.29 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.499 1.124 . . . . 0.0 111.028 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 49.5 mt -68.94 154.79 94.6 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.557 0.798 . . . . 0.0 109.295 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.957 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.94 -173.45 1.57 Allowed 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.426 1.75 . . . . 0.0 111.041 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -86.46 139.65 30.71 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.531 1.145 . . . . 0.0 110.334 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.413 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 69.95 29.29 70.91 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.491 1.119 . . . . 0.0 110.979 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.957 HD12 ' HG2' ' A' ' 50' ' ' PRO . 7.6 mt -150.27 95.67 3.55 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.465 0.744 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.0 Cg_endo -75.07 -160.71 0.11 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.477 1.777 . . . . 0.0 110.939 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.732 ' CE1' HG21 ' A' ' 46' ' ' VAL . 18.9 t80 -109.66 91.52 3.68 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.533 1.146 . . . . 0.0 110.974 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.444 ' N ' ' OH ' ' A' ' 61' ' ' TYR . 82.6 mmt-85 -143.53 165.78 26.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.523 1.14 . . . . 0.0 110.282 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -37.89 125.51 0.99 Allowed Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.441 1.088 . . . . 0.0 110.254 -179.983 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.553 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.99 1.56 7.6 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.472 1.775 . . . . 0.0 110.986 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.48 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 84.0 p -88.73 8.52 28.38 Favored 'General case' 0 C--N 1.323 -0.549 0 O-C-N 124.509 1.131 . . . . 0.0 110.047 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.6 p -121.67 -40.38 2.55 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.492 1.12 . . . . 0.0 110.434 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.553 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 13.4 m-85 -45.81 150.54 0.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.475 1.11 . . . . 0.0 111.046 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.407 ' C ' ' HD2' ' A' ' 64' ' ' PRO . . . -74.06 164.1 54.67 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.506 1.129 . . . . 0.0 111.008 -179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.647 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.4 mp -56.19 -44.0 99.51 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.549 0.794 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.95 -31.85 5.96 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.479 1.778 . . . . 0.0 110.974 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -65.32 -39.05 91.95 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 110.253 -179.914 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.457 HD22 HG21 ' A' ' 12' ' ' VAL . 56.8 mt -66.32 -54.15 28.05 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.485 1.115 . . . . 0.0 109.303 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.1 mt-10 -39.63 -54.93 1.96 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.556 1.16 . . . . 0.0 110.266 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.484 ' HD3' HD11 ' A' ' 53' ' ' ILE . 5.2 mtp180 -52.75 -52.97 54.26 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.475 1.109 . . . . 0.0 110.292 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.569 HD11 ' CG2' ' A' ' 53' ' ' ILE . 86.9 mt -49.88 -34.84 9.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.484 1.115 . . . . 0.0 109.329 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.636 HD11 ' HB2' ' A' ' 11' ' ' GLN . 69.7 mt -77.46 -28.25 52.34 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.292 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 68' ' ' ARG . 66.5 mt -80.49 -16.68 53.72 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 1.127 . . . . 0.0 109.287 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -103.84 -3.37 24.96 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.437 1.086 . . . . 0.0 109.312 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.438 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -45.82 -40.22 9.46 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.505 1.128 . . . . 0.0 109.294 180.0 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -56.47 -31.0 63.6 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.289 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 72' ' ' ALA . 2.1 mmm180 -96.83 -36.8 10.49 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.543 1.152 . . . . 0.0 110.328 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.87 HD12 HD21 ' A' ' 15' ' ' LEU . 17.5 mt -38.68 142.69 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.432 0 O-C-N 124.471 1.107 . . . . 0.0 109.295 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 33.5 ttt180 -161.63 148.33 14.25 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.564 1.165 . . . . 0.0 110.327 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.519 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 8.5 m-85 -114.31 113.27 24.35 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.472 1.108 . . . . 0.0 110.991 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.558 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 36.8 t -95.52 115.72 35.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.472 1.108 . . . . 0.0 109.298 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.414 HD13 ' C ' ' A' ' 79' ' ' VAL . 10.7 mm -105.03 73.38 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.495 ' HG2' HG12 ' A' ' 79' ' ' VAL . 0.0 OUTLIER -53.88 -60.31 3.49 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.371 1.044 . . . . 0.0 109.262 -179.986 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.866 ' O ' HD21 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -99.64 120.28 39.44 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.474 1.109 . . . . 0.0 109.278 -179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.518 ' HE1' HG22 ' A' ' 24' ' ' ILE . 3.5 m-70 -88.46 -53.67 4.55 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.472 1.108 . . . . 0.0 109.674 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -49.34 -41.54 39.11 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.479 1.112 . . . . 0.0 110.289 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.684 HD12 ' HB2' ' A' ' 82' ' ' LYS . 14.4 mt -44.85 -34.83 2.5 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.438 1.086 . . . . 0.0 109.37 179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.546 HD21 HD13 ' A' ' 44' ' ' LEU . 75.2 mt -70.14 -67.19 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 109.339 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 41.1 m-80 -43.54 159.57 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.115 . . . . 0.0 109.277 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.406 ' O ' ' HB ' ' A' ' 89' ' ' THR . 0.2 OUTLIER 64.81 113.41 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 110.027 -179.978 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.406 ' HB ' ' O ' ' A' ' 88' ' ' SER . 0.6 OUTLIER 178.75 -36.27 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.418 1.074 . . . . 0.0 110.416 -179.974 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -175.41 -38.41 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.446 1.091 . . . . 0.0 110.272 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER 61.23 154.83 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.462 1.101 . . . . 0.0 110.301 179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER 65.03 125.83 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.578 1.173 . . . . 0.0 109.294 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -91.09 -66.88 0.89 Allowed 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.462 1.101 . . . . 0.0 109.317 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 65.87 116.4 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.447 1.092 . . . . 0.0 109.983 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 165.3 -160.44 33.78 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.522 1.139 . . . . 0.0 111.004 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.06 178.42 7.3 Favored 'Trans proline' 0 C--N 1.359 1.116 0 O-C-N 124.534 1.807 . . . . 0.0 110.922 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 99.8 p -116.08 123.17 47.24 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.448 1.092 . . . . 0.0 110.016 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -108.4 79.3 1.24 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.477 1.11 . . . . 0.0 109.95 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.455 1.097 . . . . 0.0 110.948 179.918 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 N-CA-C 111.084 -0.806 . . . . 0.0 111.084 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.1 p -146.59 141.54 27.05 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 0.792 . . . . 0.0 109.966 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.29 110.81 4.93 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.496 1.122 . . . . 0.0 110.01 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -48.71 -88.27 0.01 OUTLIER Glycine 0 CA--C 1.531 1.056 0 O-C-N 124.445 1.09 . . . . 0.0 110.986 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -51.4 159.55 0.69 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.514 0.773 . . . . 0.0 109.95 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 71.63 111.0 0.06 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.517 1.136 . . . . 0.0 110.039 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.57 76.06 1.13 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.468 1.105 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.625 HD22 HD12 ' A' ' 70' ' ' LEU . 32.1 mt -51.88 -53.72 37.43 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.471 0.747 . . . . 0.0 109.282 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.477 ' HD3' ' CB ' ' A' ' 59' ' ' SER . 1.1 ttm180 -47.2 -54.02 11.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.47 1.106 . . . . 0.0 110.267 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -55.34 -41.93 73.14 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.439 1.087 . . . . 0.0 109.296 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.632 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.6 mt-30 -59.1 -50.6 73.43 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.536 1.148 . . . . 0.0 110.34 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.484 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 52.7 t -68.18 -42.36 84.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.311 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 55.5 mt-10 -51.26 -53.1 38.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.482 1.114 . . . . 0.0 110.314 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -67.71 -40.13 84.32 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.273 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.706 HD21 HD12 ' A' ' 76' ' ' ILE . 2.1 tp -60.92 -58.08 9.94 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.621 1.201 . . . . 0.0 109.313 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.485 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 1.9 m-30 -40.58 -57.5 1.83 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.55 1.156 . . . . 0.0 111.026 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -55.21 -50.58 69.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.533 1.145 . . . . 0.0 110.33 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.66 -68.28 0.17 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 110.305 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.564 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 53.3 mmtt -40.51 -60.99 0.99 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.485 ' OH ' HD22 ' A' ' 86' ' ' LEU . 43.8 t80 -51.81 -49.64 62.38 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.414 1.072 . . . . 0.0 111.02 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.45 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -58.88 -39.53 81.71 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.488 1.117 . . . . 0.0 109.329 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 36.3 mm-40 -65.59 -40.8 93.11 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.477 1.111 . . . . 0.0 110.326 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.39 -17.86 60.15 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.472 1.108 . . . . 0.0 109.31 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.558 HG22 ' HE1' ' A' ' 83' ' ' HIS . 4.6 pt -122.62 10.54 5.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.151 . . . . 0.0 109.334 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.45 ' N ' ' O ' ' A' ' 21' ' ' ALA . 2.2 mtmp? 46.35 62.57 2.23 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 109.325 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.44 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -112.59 122.72 48.51 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.128 . . . . 0.0 109.247 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.46 24.32 4.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.285 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -136.21 170.22 23.35 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.448 1.093 . . . . 0.0 111.003 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.94 116.87 4.72 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.395 1.734 . . . . 0.0 110.923 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 12.9 m -111.17 165.12 6.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.575 1.172 . . . . 0.0 109.309 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 95.6 m -103.37 145.54 29.83 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.429 1.081 . . . . 0.0 110.383 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.485 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 38.3 mt -101.98 119.79 55.76 Favored Pre-proline 0 C--N 1.325 -0.476 0 O-C-N 124.481 1.113 . . . . 0.0 109.364 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.482 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.2 Cg_endo -74.98 107.83 2.58 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.446 1.761 . . . . 0.0 111.008 -179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.706 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 6.9 m-85 -80.45 -37.76 1.05 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.102 . . . . 0.0 110.942 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.706 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.5 Cg_endo -74.95 -68.68 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.424 1.749 . . . . 0.0 111.014 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.453 ' HB2' ' HB2' ' A' ' 33' ' ' PRO . 41.5 mt -36.04 -51.24 0.73 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.442 1.089 . . . . 0.0 109.367 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.482 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 2.0 m-85 -52.26 -50.77 61.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 111.013 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.442 ' N ' ' O ' ' A' ' 35' ' ' PRO . 3.3 mm-40 -50.69 -37.26 40.14 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 110.271 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -76.23 -28.52 57.21 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.471 1.107 . . . . 0.0 109.966 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.57 ' NE2' HD22 ' A' ' 85' ' ' LEU . 37.8 m-70 -129.37 68.31 1.42 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.469 1.106 . . . . 0.0 109.602 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.2 m -81.51 -11.91 12.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.53 1.144 . . . . 0.0 109.33 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -79.14 -36.62 40.22 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.504 1.128 . . . . 0.0 110.286 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.477 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 0.5 OUTLIER -102.7 -55.43 2.44 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.534 1.146 . . . . 0.0 109.348 179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 84.4 mt -90.42 111.56 22.86 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.357 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.858 ' OH ' HG11 ' A' ' 79' ' ' VAL . 47.8 p90 -166.41 162.99 17.34 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.459 1.1 . . . . 0.0 110.99 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.693 HG21 ' CE1' ' A' ' 55' ' ' PHE . 24.7 t -105.84 150.21 8.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 10.1 mt-10 -137.82 179.56 6.35 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.26 1.81 70.92 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.468 1.105 . . . . 0.0 110.996 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.425 HD13 ' O ' ' A' ' 54' ' ' PRO . 73.1 mt -70.18 153.79 95.01 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.479 0.752 . . . . 0.0 109.238 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.92 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.1 Cg_endo -75.01 178.58 7.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.527 1.804 . . . . 0.0 110.952 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -78.03 138.66 38.91 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.405 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 70.14 29.59 70.36 Favored Glycine 0 CA--C 1.529 0.914 0 O-C-N 124.483 1.114 . . . . 0.0 111.013 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.92 HD12 ' HG2' ' A' ' 50' ' ' PRO . 10.5 mt -150.68 95.92 3.42 Favored Pre-proline 0 C--N 1.326 -0.445 0 O-C-N 124.448 0.734 . . . . 0.0 109.263 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.425 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.95 -162.18 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.514 1.797 . . . . 0.0 110.971 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.693 ' CE1' HG21 ' A' ' 46' ' ' VAL . 10.7 t80 -109.32 85.42 2.1 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.447 1.092 . . . . 0.0 110.96 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.427 ' O ' ' C ' ' A' ' 57' ' ' ARG . 76.5 mmt-85 -135.71 165.52 25.38 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.539 1.15 . . . . 0.0 110.308 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' ARG . 1.0 OUTLIER -36.94 127.71 0.76 Allowed Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.413 1.07 . . . . 0.0 110.289 179.978 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.484 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.98 0.69 8.6 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.524 1.802 . . . . 0.0 111.005 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.477 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 0.8 OUTLIER -96.33 9.0 42.55 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 110.02 179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.454 HG23 ' O ' ' A' ' 60' ' ' THR . 0.5 OUTLIER -128.47 4.71 5.64 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.482 1.114 . . . . 0.0 110.39 -179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.637 ' HB2' HD21 ' A' ' 66' ' ' LEU . 4.9 m-85 -93.54 156.78 16.54 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.503 1.127 . . . . 0.0 110.988 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.58 163.5 53.7 Favored Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.533 1.145 . . . . 0.0 110.981 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.638 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 7.4 mt -57.0 -44.44 99.79 Favored Pre-proline 0 C--N 1.326 -0.451 0 O-C-N 124.437 0.728 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.638 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.0 -32.82 5.05 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.525 1.803 . . . . 0.0 111.04 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.408 ' HD3' HG23 ' A' ' 53' ' ' ILE . 1.5 mtt180 -65.01 -39.5 93.54 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.1 . . . . 0.0 110.27 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.637 HD21 ' HB2' ' A' ' 61' ' ' TYR . 85.3 mt -68.18 -50.94 51.08 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.525 1.14 . . . . 0.0 109.244 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.454 ' HG2' HD21 ' A' ' 8' ' ' LEU . 0.8 OUTLIER -42.1 -60.52 1.41 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.463 1.102 . . . . 0.0 110.31 -179.991 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.44 ' O ' ' N ' ' A' ' 72' ' ' ALA . 4.5 mtp180 -47.07 -53.04 13.59 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.549 ' O ' HD11 ' A' ' 76' ' ' ILE . 87.7 mt -48.93 -33.61 5.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.632 HD11 ' HB2' ' A' ' 11' ' ' GLN . 76.7 mt -80.59 -32.05 36.58 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.504 1.127 . . . . 0.0 109.339 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.42 ' N ' ' O ' ' A' ' 68' ' ' ARG . 36.1 mt -78.96 -14.86 58.96 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 109.287 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -105.6 -2.88 22.95 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.486 1.116 . . . . 0.0 109.304 -179.995 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.554 ' HB2' HD11 ' A' ' 15' ' ' LEU . 1.7 ptmt -44.08 -46.67 8.68 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.342 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.8 mt-10 -50.42 -32.48 17.83 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.526 1.141 . . . . 0.0 110.296 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.476 ' N ' ' O ' ' A' ' 72' ' ' ALA . 3.2 mtm180 -94.27 -39.18 10.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.413 1.071 . . . . 0.0 110.342 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.706 HD12 HD21 ' A' ' 15' ' ' LEU . 17.9 mt -37.98 143.2 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.53 1.144 . . . . 0.0 109.271 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 0.1 OUTLIER -161.09 146.2 14.01 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.444 1.09 . . . . 0.0 110.285 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.564 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 3.0 m-85 -112.0 107.5 16.49 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.926 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.858 HG11 ' OH ' ' A' ' 45' ' ' TYR . 41.4 t -85.15 117.5 30.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.52 1.138 . . . . 0.0 109.276 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 4.9 mm -112.26 65.95 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.373 1.046 . . . . 0.0 109.311 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.477 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 5.0 mttt -54.05 -53.1 57.68 Favored 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.457 1.098 . . . . 0.0 109.323 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.966 ' CB ' HD12 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -105.25 116.86 32.67 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.481 1.113 . . . . 0.0 109.354 179.929 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.558 ' HE1' HG22 ' A' ' 24' ' ' ILE . 32.0 m-70 -87.35 -54.07 4.49 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.462 1.101 . . . . 0.0 109.575 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.443 ' CG ' ' N ' ' A' ' 85' ' ' LEU . 10.7 pt-20 -44.67 -45.13 9.53 Favored 'General case' 0 C--N 1.324 -0.542 0 O-C-N 124.551 1.157 . . . . 0.0 110.267 -179.957 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.966 HD12 ' CB ' ' A' ' 82' ' ' LYS . 26.9 mt -44.37 -27.43 0.44 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.464 1.102 . . . . 0.0 109.306 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.485 HD22 ' OH ' ' A' ' 20' ' ' TYR . 64.1 mt -70.88 -58.92 3.12 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.319 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 50.56 93.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.448 1.093 . . . . 0.0 109.333 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 87.9 p -162.53 92.19 0.79 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.494 1.121 . . . . 0.0 110.045 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.617 ' O ' HG23 ' A' ' 89' ' ' THR . 10.0 t -115.61 61.71 0.7 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.494 1.121 . . . . 0.0 110.338 -179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER 60.49 93.98 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.558 1.161 . . . . 0.0 110.32 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -174.87 90.83 0.06 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 110.26 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -54.87 124.08 15.47 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.204 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -138.22 114.15 9.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.282 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -147.6 116.22 6.7 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.456 1.098 . . . . 0.0 109.918 -180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 169.69 153.69 8.72 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.507 1.13 . . . . 0.0 110.989 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 170.97 19.25 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.507 1.793 . . . . 0.0 110.983 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 3.6 m -132.47 115.54 15.65 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.525 1.141 . . . . 0.0 110.012 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 8.4 t -119.57 148.91 42.76 Favored 'General case' 0 C--N 1.323 -0.556 0 O-C-N 124.543 1.152 . . . . 0.0 109.963 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.014 0 O-C-N 124.531 1.144 . . . . 0.0 111.037 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.064 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -138.42 165.58 26.43 Favored 'General case' 0 C--N 1.324 -0.532 0 O-C-N 124.557 0.798 . . . . 0.0 109.998 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 59.4 m -150.17 81.72 1.37 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.575 1.172 . . . . 0.0 110.019 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.87 159.41 7.96 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.6 m -78.22 136.74 37.85 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.53 0.782 . . . . 0.0 109.921 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -112.95 -61.06 1.79 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.528 1.143 . . . . 0.0 109.96 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.83 135.55 1.92 Allowed Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.494 1.122 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.578 HD22 HD12 ' A' ' 70' ' ' LEU . 30.6 mt -42.5 -68.01 0.22 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.401 0.706 . . . . 0.0 109.245 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.446 ' HD3' ' CB ' ' A' ' 59' ' ' SER . 0.7 OUTLIER -38.0 -56.06 1.18 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.474 1.109 . . . . 0.0 110.214 -179.92 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -55.41 -48.34 74.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.548 1.155 . . . . 0.0 109.257 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.596 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.5 mt-30 -53.16 -55.86 20.87 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.48 1.112 . . . . 0.0 110.278 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.5 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 54.0 t -62.41 -43.07 97.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.339 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 26.3 mt-10 -49.66 -56.99 8.1 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.465 1.103 . . . . 0.0 110.247 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.64 -36.58 81.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.499 1.125 . . . . 0.0 110.28 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.808 HD21 HD12 ' A' ' 76' ' ' ILE . 1.7 tp -64.94 -63.52 1.09 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.502 1.127 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.404 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 3.1 m-30 -38.22 -56.5 1.2 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -62.62 -45.47 92.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.406 1.066 . . . . 0.0 110.244 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.9 mtt-85 -48.44 -62.45 1.49 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.444 1.09 . . . . 0.0 110.347 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.513 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 27.2 mmtt -47.08 -55.97 7.36 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.545 1.153 . . . . 0.0 109.297 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.496 ' OH ' HD22 ' A' ' 86' ' ' LEU . 57.4 t80 -53.74 -49.33 68.38 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.712 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -58.04 -40.82 81.84 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.537 1.148 . . . . 0.0 109.301 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -59.2 -44.03 92.24 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.139 . . . . 0.0 110.342 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.03 -26.45 62.45 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.491 1.119 . . . . 0.0 109.236 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.631 HG22 ' NE2' ' A' ' 83' ' ' HIS . 4.1 pt -114.9 16.03 7.97 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 O-C-N 124.48 1.112 . . . . 0.0 109.29 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.439 ' N ' ' O ' ' A' ' 21' ' ' ALA . 4.7 mttp 42.74 57.16 3.65 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.295 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.712 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -101.4 125.22 48.02 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.478 1.111 . . . . 0.0 109.297 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.6 mttt -98.32 27.37 4.73 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.103 . . . . 0.0 109.291 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.9 170.69 25.16 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.526 1.141 . . . . 0.0 110.986 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.99 116.79 4.69 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.564 1.823 . . . . 0.0 111.016 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 18.7 m -111.34 162.53 8.9 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.456 1.097 . . . . 0.0 109.233 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 94.1 m -104.1 143.66 32.61 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.525 1.141 . . . . 0.0 110.404 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.404 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 66.0 mt -100.3 113.03 65.25 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.545 1.153 . . . . 0.0 109.349 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.431 ' CB ' HD12 ' A' ' 36' ' ' LEU . 18.4 Cg_endo -74.95 114.35 4.01 Favored 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.479 1.778 . . . . 0.0 111.008 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.725 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 17.5 m-85 -73.21 -35.84 2.94 Favored Pre-proline 0 C--N 1.324 -0.525 0 O-C-N 124.553 1.158 . . . . 0.0 111.003 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.725 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.4 Cg_endo -74.86 -58.7 0.05 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.51 1.794 . . . . 0.0 111.067 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.431 HD12 ' CB ' ' A' ' 33' ' ' PRO . 26.9 mt -45.51 -40.28 8.34 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.315 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.514 ' O ' HG13 ' A' ' 41' ' ' VAL . 8.9 m-85 -78.11 -31.01 49.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.508 1.13 . . . . 0.0 110.962 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.418 ' HB3' ' HA ' ' A' ' 35' ' ' PRO . 41.4 tp60 -69.85 -49.35 53.31 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.53 1.143 . . . . 0.0 110.251 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -68.63 -29.87 68.46 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.409 1.068 . . . . 0.0 110.052 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 72.5 m-70 -123.32 76.2 1.37 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.413 1.071 . . . . 0.0 109.554 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.514 HG13 ' O ' ' A' ' 37' ' ' PHE . 3.5 m -90.59 -14.48 8.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.544 1.153 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -84.27 -5.88 59.32 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.46 1.1 . . . . 0.0 110.312 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -123.62 -58.43 1.59 Allowed 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.417 1.073 . . . . 0.0 109.322 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.623 HD21 ' O ' ' A' ' 82' ' ' LYS . 27.0 mt -98.88 117.33 33.12 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.406 1.066 . . . . 0.0 109.363 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.845 ' OH ' HG11 ' A' ' 79' ' ' VAL . 40.4 p90 -160.64 155.88 24.71 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.487 1.117 . . . . 0.0 110.984 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.773 HG21 ' CE1' ' A' ' 55' ' ' PHE . 15.4 t -100.82 142.89 14.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.556 1.16 . . . . 0.0 109.266 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.413 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 9.1 mt-10 -131.38 -179.96 5.67 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.528 1.142 . . . . 0.0 110.316 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.8 1.83 68.44 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.521 1.138 . . . . 0.0 110.961 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 63.2 mt -70.46 152.95 95.35 Favored Pre-proline 0 C--N 1.325 -0.496 0 O-C-N 124.555 0.797 . . . . 0.0 109.35 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.911 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.3 Cg_endo -75.02 177.16 8.96 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.556 1.819 . . . . 0.0 111.017 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.0 141.21 40.46 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.552 1.158 . . . . 0.0 110.287 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.411 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 68.44 29.27 72.98 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.514 1.134 . . . . 0.0 110.992 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.911 HD12 ' HG2' ' A' ' 50' ' ' PRO . 8.7 mt -150.7 96.41 3.37 Favored Pre-proline 0 C--N 1.324 -0.512 0 O-C-N 124.574 0.808 . . . . 0.0 109.256 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.04 -162.85 0.16 Allowed 'Trans proline' 0 C--N 1.361 1.23 0 O-C-N 124.486 1.782 . . . . 0.0 111.008 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.773 ' CE1' HG21 ' A' ' 46' ' ' VAL . 9.1 t80 -107.54 84.06 1.9 Allowed 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.524 1.14 . . . . 0.0 111.015 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.436 ' N ' ' OH ' ' A' ' 61' ' ' TYR . 0.8 OUTLIER -134.56 165.14 25.9 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.511 1.132 . . . . 0.0 110.264 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.414 ' C ' ' O ' ' A' ' 56' ' ' ARG . 6.2 mtt180 -37.92 133.42 0.88 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.517 1.136 . . . . 0.0 110.306 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.5 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.4 Cg_endo -74.97 1.92 7.19 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.472 1.775 . . . . 0.0 111.038 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.446 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -97.23 8.37 44.69 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 109.987 -179.965 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 19.0 p -125.7 5.36 7.45 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.561 1.163 . . . . 0.0 110.382 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.436 ' OH ' ' N ' ' A' ' 56' ' ' ARG . 8.6 m-85 -99.13 148.5 24.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.49 1.119 . . . . 0.0 111.05 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.404 ' C ' ' HD2' ' A' ' 64' ' ' PRO . . . -68.34 164.14 48.1 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.482 1.113 . . . . 0.0 111.072 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.644 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 29.4 mt -55.58 -44.19 99.53 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.532 0.784 . . . . 0.0 109.307 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.98 -33.12 4.85 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.48 1.779 . . . . 0.0 110.977 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.412 ' HD3' HG23 ' A' ' 53' ' ' ILE . 3.1 mtt180 -61.82 -43.63 98.46 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.462 1.101 . . . . 0.0 110.277 -179.958 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.433 HD21 ' HB2' ' A' ' 61' ' ' TYR . 87.0 mt -64.64 -52.97 54.58 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.475 1.11 . . . . 0.0 109.273 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -40.41 -60.09 1.18 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 1.135 . . . . 0.0 110.3 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.456 ' HD3' HD11 ' A' ' 53' ' ' ILE . 4.5 mtp180 -48.36 -52.3 22.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.499 1.125 . . . . 0.0 110.267 -179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.536 ' O ' HD11 ' A' ' 76' ' ' ILE . 95.5 mt -49.71 -34.31 8.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.532 1.145 . . . . 0.0 109.275 -179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.596 HD11 ' HB2' ' A' ' 11' ' ' GLN . 81.2 mt -78.23 -33.87 49.59 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.582 1.176 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 32.1 mt -76.34 -22.61 54.68 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.452 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . -95.45 -3.34 47.06 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.53 1.144 . . . . 0.0 109.252 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.444 ' HB2' HD11 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -47.34 -44.0 23.46 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.482 1.114 . . . . 0.0 109.324 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 -54.26 -18.92 4.45 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.535 1.147 . . . . 0.0 110.29 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.418 ' N ' ' O ' ' A' ' 72' ' ' ALA . 20.0 mmt180 -109.61 -37.41 5.69 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.459 1.099 . . . . 0.0 110.328 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.808 HD12 HD21 ' A' ' 15' ' ' LEU . 20.8 mt -39.12 143.9 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.484 1.115 . . . . 0.0 109.27 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.9 ttt180 -161.69 147.74 13.83 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.491 1.119 . . . . 0.0 110.337 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.513 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 8.2 m-85 -115.3 105.71 13.19 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.502 1.127 . . . . 0.0 110.98 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.845 HG11 ' OH ' ' A' ' 45' ' ' TYR . 21.8 t -84.23 126.12 40.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.555 1.159 . . . . 0.0 109.316 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.441 HG23 HD22 ' A' ' 44' ' ' LEU . 4.6 mm -118.05 87.85 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 O-C-N 124.523 1.139 . . . . 0.0 109.33 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -55.99 8.61 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 109.317 -179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.824 ' CB ' HD12 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -107.19 114.05 27.86 Favored 'General case' 0 C--N 1.323 -0.544 0 O-C-N 124.504 1.128 . . . . 0.0 109.368 179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.631 ' NE2' HG22 ' A' ' 24' ' ' ILE . 0.2 OUTLIER -81.42 -53.56 6.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.502 1.126 . . . . 0.0 109.653 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.423 ' CG ' ' N ' ' A' ' 85' ' ' LEU . 11.2 pt-20 -44.18 -44.32 7.69 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.525 1.141 . . . . 0.0 110.301 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.824 HD12 ' CB ' ' A' ' 82' ' ' LYS . 36.8 mt -44.0 -30.01 0.67 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.511 1.132 . . . . 0.0 109.233 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.523 HD21 HD13 ' A' ' 44' ' ' LEU . 66.1 mt -76.77 -62.88 1.49 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.421 1.076 . . . . 0.0 109.253 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 65.32 109.68 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.275 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.41 79.4 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.528 1.143 . . . . 0.0 110.026 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 71.3 p -79.3 -37.56 37.42 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.485 1.116 . . . . 0.0 110.371 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -143.36 128.62 18.8 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.538 1.149 . . . . 0.0 110.301 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -112.23 146.66 37.75 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.595 1.185 . . . . 0.0 110.324 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -143.38 133.61 24.5 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.544 1.152 . . . . 0.0 109.293 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -155.87 102.12 2.16 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.468 1.105 . . . . 0.0 109.283 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -138.95 149.59 44.93 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.479 1.112 . . . . 0.0 110.012 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 117.53 112.38 2.61 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.503 1.127 . . . . 0.0 110.972 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.05 -50.38 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.407 1.741 . . . . 0.0 110.946 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 37.9 m 50.92 99.01 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.508 1.13 . . . . 0.0 110.043 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 30.8 p -150.64 136.53 18.31 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.513 1.133 . . . . 0.0 110.02 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.947 0 O-C-N 124.498 1.124 . . . . 0.0 111.015 179.952 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.1 p -76.32 131.56 39.27 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 0.775 . . . . 0.0 109.938 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 20.8 m -62.65 162.68 10.25 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.141 . . . . 0.0 110.074 179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -103.57 -90.15 2.14 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.495 1.122 . . . . 0.0 111.015 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.5 p 59.83 166.42 0.07 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.447 0.733 . . . . 0.0 110.001 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.1 t -81.35 133.82 35.48 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.455 1.097 . . . . 0.0 109.998 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -164.16 154.1 24.78 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.489 1.118 . . . . 0.0 110.972 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.709 HD22 HD12 ' A' ' 70' ' ' LEU . 52.9 mt -42.43 -57.73 2.51 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 0.769 . . . . 0.0 109.232 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.482 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 2.2 ttm180 -45.57 -57.85 3.85 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.52 1.138 . . . . 0.0 110.303 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.0 ttpt -52.05 -44.05 64.08 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.545 1.153 . . . . 0.0 109.32 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . . . . . . . . . 5.1 mt-30 -56.38 -49.67 73.78 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.461 1.1 . . . . 0.0 110.298 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.471 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 51.1 t -68.51 -45.06 82.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.511 1.132 . . . . 0.0 109.314 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 29.6 mt-10 -50.45 -51.91 42.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.474 1.109 . . . . 0.0 110.304 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -68.74 -40.19 79.95 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.508 1.13 . . . . 0.0 110.259 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.584 HD21 HD12 ' A' ' 76' ' ' ILE . 1.2 tp -60.27 -56.94 15.36 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.487 1.117 . . . . 0.0 109.335 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.465 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 1.8 m-30 -41.24 -56.96 2.25 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.454 1.096 . . . . 0.0 111.031 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -57.09 -49.96 74.26 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.31 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -42.17 -63.43 0.75 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.486 1.116 . . . . 0.0 110.319 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.468 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 46.0 mmtt -45.87 -57.89 3.97 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.453 1.095 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.414 ' OH ' HD13 ' A' ' 86' ' ' LEU . 50.8 t80 -52.76 -46.83 67.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.404 1.065 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.527 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -60.52 -39.04 86.37 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.429 1.08 . . . . 0.0 109.362 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -62.47 -44.03 97.38 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 1.111 . . . . 0.0 110.345 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.51 -18.12 37.53 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.55 1.156 . . . . 0.0 109.315 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.758 HG22 ' HE1' ' A' ' 83' ' ' HIS . 3.5 pt -123.14 15.05 5.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.373 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.421 ' N ' ' O ' ' A' ' 21' ' ' ALA . 5.1 mttt 42.83 58.87 3.04 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 109.316 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.527 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -107.79 125.16 51.09 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.457 1.098 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -96.39 13.29 28.29 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.489 1.118 . . . . 0.0 109.331 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -124.77 170.47 16.79 Favored Glycine 0 CA--C 1.529 0.926 0 O-C-N 124.485 1.116 . . . . 0.0 111.028 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 117.17 4.81 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.386 1.73 . . . . 0.0 111.019 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.4 m -110.96 163.18 7.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.573 1.171 . . . . 0.0 109.274 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 65.6 m -103.45 141.99 35.02 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.534 1.146 . . . . 0.0 110.481 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.465 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 67.1 mt -96.95 119.79 62.81 Favored Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.385 1.053 . . . . 0.0 109.322 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.435 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.4 Cg_endo -75.02 106.74 2.33 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.504 1.791 . . . . 0.0 110.997 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.717 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 7.9 m-85 -76.59 -37.21 1.87 Allowed Pre-proline 0 C--N 1.326 -0.455 0 O-C-N 124.581 1.176 . . . . 0.0 111.012 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.717 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.4 Cg_endo -75.02 -65.88 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.498 1.789 . . . . 0.0 110.976 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.469 HD13 ' O ' ' A' ' 86' ' ' LEU . 10.2 mt -38.05 -48.47 1.21 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.545 1.153 . . . . 0.0 109.34 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.554 ' O ' HG13 ' A' ' 41' ' ' VAL . 3.5 m-85 -59.97 -47.33 86.26 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 111.029 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.437 ' N ' ' O ' ' A' ' 35' ' ' PRO . 1.7 mm-40 -54.28 -38.31 65.71 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.497 1.123 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -86.35 -16.89 35.95 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.041 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.433 ' CD2' ' O ' ' A' ' 36' ' ' LEU . 54.1 m-70 -130.02 63.19 1.55 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 109.596 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.554 HG13 ' O ' ' A' ' 37' ' ' PHE . 13.8 m -85.26 -12.36 11.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.322 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.3 mt-10 -84.97 -13.94 49.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.539 1.149 . . . . 0.0 110.331 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.486 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 19.1 m-20 -125.18 -53.45 1.62 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.53 1.144 . . . . 0.0 109.358 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 45.5 mt -96.25 112.74 24.38 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.471 1.107 . . . . 0.0 109.317 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.741 ' OH ' HG11 ' A' ' 79' ' ' VAL . 46.2 p90 -163.26 162.88 25.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.144 . . . . 0.0 111.023 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.813 HG21 ' CE1' ' A' ' 55' ' ' PHE . 31.9 t -106.91 140.97 23.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.321 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 8.9 mt-10 -129.01 -178.74 4.75 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.528 1.142 . . . . 0.0 110.332 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.39 1.6 70.84 Favored Glycine 0 CA--C 1.531 1.059 0 O-C-N 124.548 1.155 . . . . 0.0 110.943 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.474 HD13 ' O ' ' A' ' 54' ' ' PRO . 72.3 mt -70.05 156.18 92.24 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.524 0.779 . . . . 0.0 109.307 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.928 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.5 Cg_endo -74.96 -177.86 3.75 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.436 1.756 . . . . 0.0 110.986 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -81.12 137.73 35.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 110.305 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.13 30.4 69.76 Favored Glycine 0 CA--C 1.531 1.062 0 O-C-N 124.56 1.162 . . . . 0.0 110.912 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.928 HD12 ' HG2' ' A' ' 50' ' ' PRO . 10.8 mt -150.49 95.38 3.53 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.522 0.777 . . . . 0.0 109.319 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.474 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.6 Cg_endo -74.94 -161.47 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.545 1.813 . . . . 0.0 111.087 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.813 ' CE1' HG21 ' A' ' 46' ' ' VAL . 17.6 t80 -109.57 89.31 2.97 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.472 1.108 . . . . 0.0 111.0 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.44 ' O ' ' C ' ' A' ' 57' ' ' ARG . 25.6 mmt85 -139.94 166.1 25.54 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.128 . . . . 0.0 110.282 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.44 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.0 OUTLIER -36.07 125.36 0.69 Allowed Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 179.995 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.515 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.03 1.13 8.1 Favored 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.499 1.789 . . . . 0.0 110.97 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.482 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 54.2 p -95.56 3.89 53.67 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.56 1.162 . . . . 0.0 110.002 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -119.48 -9.2 9.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.462 1.101 . . . . 0.0 110.413 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.699 ' HB2' HD21 ' A' ' 66' ' ' LEU . 6.4 m-85 -79.11 157.94 27.87 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.974 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.07 163.75 52.42 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.564 1.165 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.651 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 62.7 mt -57.78 -43.6 98.81 Favored Pre-proline 0 C--N 1.327 -0.413 0 O-C-N 124.462 0.742 . . . . 0.0 109.305 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -75.02 -32.51 5.29 Favored 'Trans proline' 0 C--N 1.36 1.132 0 O-C-N 124.457 1.767 . . . . 0.0 110.994 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -65.06 -41.75 94.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.52 1.138 . . . . 0.0 110.237 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.699 HD21 ' HB2' ' A' ' 61' ' ' TYR . 96.1 mt -65.25 -50.71 64.74 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.57 1.169 . . . . 0.0 109.325 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -41.89 -59.63 1.64 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.153 . . . . 0.0 110.293 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.403 ' O ' ' N ' ' A' ' 72' ' ' ALA . 2.7 mtt-85 -49.19 -50.45 37.96 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.498 1.124 . . . . 0.0 110.304 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.529 HG23 HD11 ' A' ' 76' ' ' ILE . 92.9 mt -52.38 -32.98 16.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.522 1.139 . . . . 0.0 109.298 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.709 HD12 HD22 ' A' ' 8' ' ' LEU . 80.3 mt -79.15 -28.27 42.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.53 1.144 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 41.6 mt -84.95 -13.2 51.46 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.11 . . . . 0.0 109.314 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.481 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -104.44 -4.64 22.51 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.613 1.196 . . . . 0.0 109.348 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.55 ' HB2' HD11 ' A' ' 15' ' ' LEU . 0.8 OUTLIER -44.81 -43.91 9.02 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.401 1.063 . . . . 0.0 109.297 179.985 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -52.86 -31.27 38.48 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.532 1.145 . . . . 0.0 110.295 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.481 ' N ' ' O ' ' A' ' 72' ' ' ALA . 2.4 mtt180 -95.97 -38.86 10.06 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 110.319 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.584 HD12 HD21 ' A' ' 15' ' ' LEU . 20.1 mt -37.74 142.88 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.552 1.158 . . . . 0.0 109.269 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 10.0 ttt180 -160.55 145.63 14.54 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.516 1.135 . . . . 0.0 110.317 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.468 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 5.5 m-85 -112.34 109.74 19.55 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.52 1.137 . . . . 0.0 110.94 -179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.741 HG11 ' OH ' ' A' ' 45' ' ' TYR . 30.7 t -88.35 119.78 36.21 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.405 1.066 . . . . 0.0 109.284 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.5 mm -109.4 60.19 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.501 1.126 . . . . 0.0 109.321 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.486 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 6.5 mttt -44.7 -57.8 3.46 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.408 1.067 . . . . 0.0 109.272 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.802 ' HB2' HD12 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -107.91 122.07 46.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.444 1.09 . . . . 0.0 109.336 -179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.758 ' HE1' HG22 ' A' ' 24' ' ' ILE . 13.9 m-70 -86.49 -58.95 2.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.503 1.127 . . . . 0.0 109.638 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.448 ' O ' ' ND2' ' A' ' 87' ' ' ASN . 23.0 pt-20 -45.49 -41.1 9.2 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.476 1.11 . . . . 0.0 110.344 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.802 HD12 ' HB2' ' A' ' 82' ' ' LYS . 12.1 mt -43.5 -30.09 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.504 1.128 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.469 ' O ' HD13 ' A' ' 36' ' ' LEU . 87.6 mt -59.09 -76.85 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 109.305 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.448 ' ND2' ' O ' ' A' ' 84' ' ' GLU . 13.4 p30 39.12 60.19 1.53 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.485 1.115 . . . . 0.0 109.261 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -139.18 131.43 28.26 Favored 'General case' 0 C--N 1.326 -0.416 0 O-C-N 124.401 1.063 . . . . 0.0 110.002 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 4.9 t -110.88 -32.1 6.94 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.507 1.129 . . . . 0.0 110.423 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 2.7 mmt180 42.53 80.27 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 110.321 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -102.04 74.46 1.45 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 110.293 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -136.95 136.54 38.66 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -147.13 119.97 8.68 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.465 1.103 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 97.9 p -128.85 98.28 4.92 Favored 'General case' 0 C--N 1.323 -0.552 0 O-C-N 124.504 1.128 . . . . 0.0 110.067 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 118.12 167.69 14.16 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.524 1.14 . . . . 0.0 111.012 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 -49.18 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.407 1.74 . . . . 0.0 110.98 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 43.0 t 63.3 125.03 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.495 1.122 . . . . 0.0 109.989 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.8 t -169.61 160.24 8.81 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.989 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.063 0 O-C-N 124.446 1.091 . . . . 0.0 111.001 179.982 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -171.54 139.74 1.29 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.446 0.733 . . . . 0.0 110.047 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.0 t -137.99 100.4 4.15 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.563 1.164 . . . . 0.0 110.008 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 51.68 -156.59 3.48 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.484 1.115 . . . . 0.0 111.037 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.1 m -96.22 -63.46 1.15 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.456 0.739 . . . . 0.0 110.032 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.6 m -66.9 119.84 12.59 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.463 1.102 . . . . 0.0 109.995 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.09 109.8 0.36 Allowed Glycine 0 CA--C 1.529 0.919 0 O-C-N 124.491 1.119 . . . . 0.0 111.007 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.621 HD22 HD12 ' A' ' 70' ' ' LEU . 43.0 mt -42.7 -63.36 0.79 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 0.745 . . . . 0.0 109.294 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.48 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 0.2 OUTLIER -42.65 -53.61 4.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.525 1.141 . . . . 0.0 110.278 179.98 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 ttpt -55.83 -43.74 77.26 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.45 1.094 . . . . 0.0 109.291 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.615 ' HB2' HD11 ' A' ' 70' ' ' LEU . 3.2 mt-30 -57.02 -51.92 67.34 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.542 1.151 . . . . 0.0 110.231 -179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.46 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 49.2 t -67.04 -41.89 87.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 O-C-N 124.536 1.148 . . . . 0.0 109.296 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -53.28 -54.18 40.1 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.32 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.66 -36.49 82.66 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.54 1.15 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.758 HD21 HD12 ' A' ' 76' ' ' ILE . 1.0 OUTLIER -64.11 -58.53 6.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.554 1.159 . . . . 0.0 109.308 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.472 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.0 m-30 -40.72 -53.89 2.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.45 1.094 . . . . 0.0 110.982 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.9 mt-10 -60.64 -50.24 74.29 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.498 1.124 . . . . 0.0 110.285 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.26 -62.82 0.94 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.156 . . . . 0.0 110.277 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.443 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 37.9 mmtt -47.96 -54.61 12.26 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.512 1.133 . . . . 0.0 109.346 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.463 ' OH ' HD13 ' A' ' 86' ' ' LEU . 37.9 t80 -54.97 -45.75 75.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.546 1.154 . . . . 0.0 110.98 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.531 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -60.88 -38.75 86.71 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.285 -179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 2.7 mt-30 -60.75 -45.39 94.51 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.437 1.085 . . . . 0.0 110.31 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.69 -22.73 47.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.544 1.153 . . . . 0.0 109.284 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.548 HG13 ' HB2' ' A' ' 26' ' ' ALA . 3.8 pt -119.69 18.21 6.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 O-C-N 124.523 1.14 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.429 ' N ' ' O ' ' A' ' 21' ' ' ALA . 2.2 mtmm 39.14 59.62 1.64 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.476 1.11 . . . . 0.0 109.299 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.548 ' HB2' HG13 ' A' ' 24' ' ' ILE . . . -107.06 122.72 47.03 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.486 1.116 . . . . 0.0 109.281 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -93.91 27.95 2.58 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.509 1.13 . . . . 0.0 109.256 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.42 170.52 25.05 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 . 005 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.92 117.12 4.8 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.479 1.778 . . . . 0.0 110.99 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.49 HG11 HD11 ' A' ' 24' ' ' ILE . 5.8 m -109.03 166.42 4.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.15 . . . . 0.0 109.295 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 95.1 m -103.56 144.21 31.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.376 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.472 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 64.5 mt -104.31 112.08 65.34 Favored Pre-proline 0 C--N 1.324 -0.522 0 O-C-N 124.49 1.119 . . . . 0.0 109.368 179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.462 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 18.3 Cg_endo -74.93 116.85 4.72 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.507 1.793 . . . . 0.0 111.017 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.74 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 13.4 m-85 -76.66 -33.96 1.25 Allowed Pre-proline 0 C--N 1.324 -0.532 0 O-C-N 124.589 1.181 . . . . 0.0 111.084 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.74 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -75.05 -69.23 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.518 1.799 . . . . 0.0 110.992 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.462 ' HB2' ' HB2' ' A' ' 33' ' ' PRO . 63.8 mt -36.93 -46.62 0.65 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.523 1.139 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.452 ' CE1' ' HD2' ' A' ' 33' ' ' PRO . 8.1 m-85 -66.98 -45.96 76.08 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.477 1.111 . . . . 0.0 111.038 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 35' ' ' PRO . 2.7 tt0 -63.86 -32.01 73.38 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.325 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 2.9 t -75.2 -35.71 61.48 Favored 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.484 1.115 . . . . 0.0 109.977 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.466 ' NE2' HD22 ' A' ' 85' ' ' LEU . 38.1 m-70 -118.54 63.69 0.77 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.501 1.126 . . . . 0.0 109.573 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.402 HG22 ' H ' ' A' ' 41' ' ' VAL . 6.6 m -74.34 -9.51 12.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 109.327 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 6.6 mt-10 -91.3 -13.51 32.49 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.436 1.085 . . . . 0.0 110.378 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.433 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 1.0 OUTLIER -119.92 -58.34 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.303 179.974 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.875 HD21 ' O ' ' A' ' 82' ' ' LYS . 11.9 mt -95.62 117.37 30.33 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.577 1.173 . . . . 0.0 109.273 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.567 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 24.2 p90 -163.29 152.65 14.9 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.543 1.152 . . . . 0.0 111.005 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.652 HG21 ' CE1' ' A' ' 55' ' ' PHE . 7.3 t -93.88 148.27 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.446 1.091 . . . . 0.0 109.292 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.408 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 5.3 mt-10 -134.56 178.08 7.27 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.434 1.084 . . . . 0.0 110.29 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.97 1.37 67.78 Favored Glycine 0 CA--C 1.531 1.085 0 O-C-N 124.414 1.072 . . . . 0.0 110.967 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 45.8 mt -68.94 152.3 96.87 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.559 0.799 . . . . 0.0 109.283 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.958 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.01 -177.55 3.55 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.537 1.809 . . . . 0.0 111.008 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -82.89 139.87 33.18 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.566 1.166 . . . . 0.0 110.276 -179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.424 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 70.32 29.09 70.49 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.541 1.151 . . . . 0.0 110.921 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.958 HD12 ' HG2' ' A' ' 50' ' ' PRO . 6.8 mt -150.65 96.49 3.37 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.517 0.775 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 -160.41 0.1 Allowed 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.459 1.768 . . . . 0.0 111.055 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.652 ' CE1' HG21 ' A' ' 46' ' ' VAL . 15.2 t80 -110.19 87.28 2.48 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.535 1.147 . . . . 0.0 111.053 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.416 ' O ' ' C ' ' A' ' 57' ' ' ARG . 11.9 mmt-85 -139.01 165.62 26.66 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.324 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 56' ' ' ARG . 60.2 mtt180 -37.74 125.59 0.96 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.514 1.133 . . . . 0.0 110.265 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.567 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.01 1.87 7.26 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.536 1.808 . . . . 0.0 110.968 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.48 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 81.4 p -88.45 8.68 26.71 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.43 1.081 . . . . 0.0 109.995 179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.7 p -122.01 -42.39 2.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.531 1.145 . . . . 0.0 110.397 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.567 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 13.5 m-85 -42.88 146.19 0.41 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.508 1.13 . . . . 0.0 111.029 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.408 ' C ' ' HD2' ' A' ' 64' ' ' PRO . . . -71.56 164.48 53.99 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.476 1.11 . . . . 0.0 110.914 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.635 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 32.5 mt -54.98 -44.39 99.55 Favored Pre-proline 0 C--N 1.326 -0.422 0 O-C-N 124.537 0.786 . . . . 0.0 109.379 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.635 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.08 -32.87 4.93 Favored 'Trans proline' 0 C--N 1.36 1.158 0 O-C-N 124.525 1.803 . . . . 0.0 110.992 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.542 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -65.52 -40.45 93.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.427 1.079 . . . . 0.0 110.314 179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.519 HD21 ' HB2' ' A' ' 61' ' ' TYR . 74.6 mt -65.64 -53.2 44.76 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.567 1.167 . . . . 0.0 109.326 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 -40.36 -60.11 1.16 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 1.148 . . . . 0.0 110.334 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.578 ' HD3' HD11 ' A' ' 53' ' ' ILE . 3.1 mtp180 -46.91 -54.57 9.72 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.52 1.138 . . . . 0.0 110.313 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.658 HD11 ' CG2' ' A' ' 53' ' ' ILE . 84.6 mt -48.35 -36.57 6.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.336 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.621 HD12 HD22 ' A' ' 8' ' ' LEU . 86.1 mt -75.73 -33.05 60.26 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.538 1.149 . . . . 0.0 109.259 -179.982 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.421 ' N ' ' O ' ' A' ' 68' ' ' ARG . 63.9 mt -78.17 -12.11 59.97 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.108 . . . . 0.0 109.305 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.473 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -106.77 -4.69 19.08 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 109.315 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.49 ' HB2' HD11 ' A' ' 15' ' ' LEU . 0.5 OUTLIER -42.96 -50.45 5.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.496 1.123 . . . . 0.0 109.275 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.1 mt-10 -47.25 -33.43 5.5 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.274 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.473 ' N ' ' O ' ' A' ' 72' ' ' ALA . 0.9 OUTLIER -92.73 -39.1 11.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.538 1.149 . . . . 0.0 110.227 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.758 HD12 HD21 ' A' ' 15' ' ' LEU . 16.6 mt -38.48 143.47 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.476 1.11 . . . . 0.0 109.325 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -164.35 146.16 8.6 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.46 1.1 . . . . 0.0 110.339 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.443 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 7.9 m-85 -110.4 110.64 21.49 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.446 1.091 . . . . 0.0 111.022 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.567 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 27.3 t -90.23 113.08 25.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.435 0 O-C-N 124.421 1.076 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.494 HG21 ' CE1' ' A' ' 83' ' ' HIS . 13.3 mm -103.87 71.21 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.466 1.104 . . . . 0.0 109.333 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.433 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -51.82 -59.29 4.48 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.485 1.115 . . . . 0.0 109.291 -179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.923 ' CB ' HD12 ' A' ' 85' ' ' LEU . 1.1 mmpp? -104.09 121.65 43.65 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 109.246 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.494 ' CE1' HG21 ' A' ' 80' ' ' ILE . 3.3 m-70 -85.59 -60.95 1.88 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.44 1.087 . . . . 0.0 109.633 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.404 ' HG3' ' N ' ' A' ' 85' ' ' LEU . 11.6 pt-20 -42.44 -40.22 2.49 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.584 1.178 . . . . 0.0 110.332 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.923 HD12 ' CB ' ' A' ' 82' ' ' LYS . 17.2 mt -45.32 -40.06 7.34 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.434 1.084 . . . . 0.0 109.253 179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.463 HD13 ' OH ' ' A' ' 20' ' ' TYR . 83.3 mt -58.97 -60.31 4.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 109.287 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.5 t-20 47.51 92.72 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.456 1.098 . . . . 0.0 109.336 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.1 p -127.22 150.27 49.61 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 110.053 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.553 ' O ' HG23 ' A' ' 89' ' ' THR . 9.7 t -161.26 60.97 0.28 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.523 1.14 . . . . 0.0 110.386 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -179.87 130.79 0.1 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.513 1.133 . . . . 0.0 110.325 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -134.97 91.18 2.72 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.491 1.119 . . . . 0.0 110.333 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 178.55 115.33 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.451 1.095 . . . . 0.0 109.338 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 6.4 tp -159.89 81.18 0.71 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.441 1.088 . . . . 0.0 109.343 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 55.9 m 41.5 90.79 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.492 1.12 . . . . 0.0 109.984 -179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -51.33 173.64 0.14 Allowed Glycine 0 CA--C 1.529 0.933 0 O-C-N 124.438 1.086 . . . . 0.0 111.098 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 102.11 1.55 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.482 1.78 . . . . 0.0 111.05 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -89.4 118.45 29.07 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.49 1.119 . . . . 0.0 110.02 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 31.2 t -60.62 153.33 24.03 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.552 1.157 . . . . 0.0 110.063 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.957 0 O-C-N 124.532 1.145 . . . . 0.0 111.041 179.982 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.95 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.1 m -121.2 141.48 50.81 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.494 0.761 . . . . 0.0 109.929 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -85.62 135.62 33.71 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.494 1.121 . . . . 0.0 110.016 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 110.69 106.46 2.95 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.489 1.118 . . . . 0.0 111.005 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.8 t -155.97 152.59 28.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.547 0.792 . . . . 0.0 110.008 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 172.86 111.55 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.539 1.149 . . . . 0.0 109.991 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 8' ' ' LEU . . . -157.23 125.36 1.56 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.443 1.089 . . . . 0.0 110.983 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.502 ' CD1' ' O ' ' A' ' 63' ' ' ILE . 23.7 mt -40.03 -69.56 0.13 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.462 0.742 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.487 ' HD3' ' CB ' ' A' ' 59' ' ' SER . 0.5 OUTLIER -39.75 -53.66 2.19 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.274 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.7 ttpp -58.12 -44.54 87.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.46 1.1 . . . . 0.0 109.224 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.406 ' N ' ' O ' ' A' ' 8' ' ' LEU . 3.3 mt-30 -58.7 -55.61 32.83 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 110.301 -179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.45 HG11 ' HB3' ' A' ' 58' ' ' PRO . 53.6 t -62.33 -45.09 99.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.488 1.118 . . . . 0.0 109.312 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 33.0 mt-10 -49.13 -51.31 32.88 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.423 1.077 . . . . 0.0 110.274 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -68.85 -40.76 79.18 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 110.363 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.754 HD21 HD12 ' A' ' 76' ' ' ILE . 1.5 tp -60.41 -59.65 5.07 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.276 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.478 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 1.8 m-30 -39.59 -57.11 1.54 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.456 1.098 . . . . 0.0 111.003 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 4.0 mt-10 -58.32 -53.31 59.71 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.312 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 mtm-85 -39.53 -62.03 0.73 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.554 1.159 . . . . 0.0 110.268 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.481 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 41.0 mmtt -45.55 -60.87 1.94 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.32 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 55.1 t80 -53.13 -51.75 60.94 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.499 1.125 . . . . 0.0 110.981 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.469 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -54.95 -38.53 67.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.477 1.11 . . . . 0.0 109.37 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.8 mm100 -67.66 -38.98 84.55 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.403 1.064 . . . . 0.0 110.286 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.22 -14.78 57.66 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.508 1.13 . . . . 0.0 109.35 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.469 HG22 ' HE1' ' A' ' 83' ' ' HIS . 5.3 pt -123.47 2.88 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.478 1.111 . . . . 0.0 109.303 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.469 ' N ' ' O ' ' A' ' 21' ' ' ALA . 1.8 mtmt 55.25 61.76 2.77 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.476 1.11 . . . . 0.0 109.274 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.458 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -113.27 124.26 52.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.442 1.089 . . . . 0.0 109.324 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -94.67 25.88 3.79 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.491 1.12 . . . . 0.0 109.321 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.59 170.22 24.28 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.513 1.133 . . . . 0.0 110.961 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 117.35 4.88 Favored 'Trans proline' 0 C--N 1.361 1.199 0 O-C-N 124.429 1.752 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.0 m -111.34 165.63 6.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.491 1.12 . . . . 0.0 109.243 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.9 m -103.29 142.11 34.76 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.52 1.137 . . . . 0.0 110.43 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.478 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 28.3 mt -97.69 121.69 57.28 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.572 1.17 . . . . 0.0 109.327 179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.465 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.6 Cg_endo -74.92 108.86 2.81 Favored 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.501 1.79 . . . . 0.0 111.061 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.709 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 4.4 m-85 -81.02 -37.83 0.96 Allowed Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.429 1.08 . . . . 0.0 110.977 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.709 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.2 Cg_endo -75.05 -68.32 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.485 1.782 . . . . 0.0 110.954 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.452 ' C ' ' O ' ' A' ' 35' ' ' PRO . 33.9 mt -36.4 -47.89 0.63 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.509 1.131 . . . . 0.0 109.273 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.465 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 2.1 m-85 -57.54 -50.2 73.86 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.424 1.077 . . . . 0.0 111.009 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.454 ' N ' ' O ' ' A' ' 35' ' ' PRO . 6.1 mm100 -54.59 -42.33 70.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.503 1.127 . . . . 0.0 110.336 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.549 ' OG ' ' CD2' ' A' ' 40' ' ' HIS . 18.8 p -67.19 -33.21 74.91 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.503 1.127 . . . . 0.0 110.023 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.549 ' CD2' ' OG ' ' A' ' 39' ' ' SER . 34.5 m-70 -124.3 70.15 1.1 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.494 1.121 . . . . 0.0 109.661 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 6.6 m -82.48 -6.92 10.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 109.228 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 16.3 mt-10 -90.23 -15.67 30.91 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.512 1.132 . . . . 0.0 110.244 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.492 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 21.8 m-20 -121.78 -49.41 2.11 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.427 1.079 . . . . 0.0 109.244 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 41.0 mt -97.87 124.39 42.26 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 109.289 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.577 ' OH ' HG11 ' A' ' 79' ' ' VAL . 45.7 p90 -177.47 161.29 1.72 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.463 1.102 . . . . 0.0 111.015 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.59 HG21 ' CE1' ' A' ' 55' ' ' PHE . 14.7 t -104.37 151.8 6.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.398 1.061 . . . . 0.0 109.291 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.415 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 12.6 mt-10 -137.1 -179.58 5.8 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.295 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.8 1.57 67.55 Favored Glycine 0 CA--C 1.529 0.927 0 O-C-N 124.478 1.111 . . . . 0.0 111.044 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.1 mt -70.05 155.07 94.07 Favored Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.459 0.74 . . . . 0.0 109.334 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.947 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.1 Cg_endo -75.02 -174.84 2.09 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.486 1.782 . . . . 0.0 110.99 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -84.12 137.89 33.31 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.503 1.127 . . . . 0.0 110.301 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.05 30.54 69.83 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.493 1.12 . . . . 0.0 110.969 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.947 HD12 ' HG2' ' A' ' 50' ' ' PRO . 10.8 mt -150.11 96.29 3.52 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.511 0.771 . . . . 0.0 109.263 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 -162.06 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.502 1.79 . . . . 0.0 110.98 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.59 ' CE1' HG21 ' A' ' 46' ' ' VAL . 10.9 t80 -109.67 85.38 2.09 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.497 1.123 . . . . 0.0 110.971 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.422 ' O ' ' C ' ' A' ' 57' ' ' ARG . 21.4 mmt180 -135.42 165.52 25.28 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.473 1.108 . . . . 0.0 110.308 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.422 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.8 OUTLIER -37.31 127.15 0.85 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 110.27 179.982 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.506 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.99 1.51 7.66 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.495 1.787 . . . . 0.0 111.024 179.952 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.487 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 26.3 p -95.54 5.21 52.1 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.496 1.122 . . . . 0.0 110.021 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -123.71 -3.2 8.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.462 1.101 . . . . 0.0 110.439 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.506 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 5.0 m-85 -84.47 157.6 21.29 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 1.121 . . . . 0.0 111.012 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -75.64 164.01 53.85 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.561 1.163 . . . . 0.0 110.952 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.658 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 2.0 mp -59.32 -43.17 96.11 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.466 0.745 . . . . 0.0 109.313 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.658 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -75.0 -29.27 8.4 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.543 1.812 . . . . 0.0 110.957 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.632 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.4 OUTLIER -64.65 -49.55 70.57 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.525 1.141 . . . . 0.0 110.372 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.433 HD13 ' N ' ' A' ' 9' ' ' ARG . 89.8 mt -58.41 -56.82 17.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.502 1.126 . . . . 0.0 109.329 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.413 ' C ' ' O ' ' A' ' 66' ' ' LEU . 2.6 mt-10 -37.16 -57.49 0.86 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.34 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.486 ' HD3' HD11 ' A' ' 53' ' ' ILE . 11.5 mtp180 -52.97 -51.78 60.39 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 110.356 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.575 HD11 ' CG2' ' A' ' 53' ' ' ILE . 93.7 mt -50.7 -31.93 10.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.456 1.098 . . . . 0.0 109.285 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . . . . . . . . . 63.7 mt -77.93 -31.89 51.26 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 76.7 mt -78.99 -15.33 58.41 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.481 1.113 . . . . 0.0 109.291 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.41 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -102.29 -3.23 27.55 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 109.262 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.46 ' HB2' HD11 ' A' ' 15' ' ' LEU . 2.2 ptmt -47.98 -43.35 29.51 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 1.128 . . . . 0.0 109.254 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.1 mt-10 -55.63 -17.98 6.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.32 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 76' ' ' ILE . 20.8 mmt180 -110.81 -36.89 5.57 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.578 1.174 . . . . 0.0 110.27 -179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.754 HD12 HD21 ' A' ' 15' ' ' LEU . 22.4 mt -39.28 143.99 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.516 0 O-C-N 124.485 1.116 . . . . 0.0 109.281 -179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 0.0 OUTLIER -160.73 145.67 14.27 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 110.307 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.481 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 4.9 m-85 -111.24 106.98 16.14 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 110.969 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.577 HG11 ' OH ' ' A' ' 45' ' ' TYR . 16.9 t -85.07 129.88 37.03 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 O-C-N 124.441 1.088 . . . . 0.0 109.341 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.609 HG23 HD11 ' A' ' 86' ' ' LEU . 4.1 mm -121.96 64.51 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.561 1.163 . . . . 0.0 109.315 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.492 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 3.6 mtmt -47.62 -55.59 9.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.582 1.176 . . . . 0.0 109.351 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.874 ' CB ' HD12 ' A' ' 85' ' ' LEU . 1.0 OUTLIER -104.38 118.42 36.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.481 1.113 . . . . 0.0 109.332 179.946 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.469 ' HE1' HG22 ' A' ' 24' ' ' ILE . 0.8 OUTLIER -88.76 -43.36 11.33 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 109.579 179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -53.25 -22.27 6.63 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.499 1.124 . . . . 0.0 110.298 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.874 HD12 ' CB ' ' A' ' 82' ' ' LYS . 45.9 mt -69.22 -16.38 63.59 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.43 1.081 . . . . 0.0 109.338 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.609 HD11 HG23 ' A' ' 80' ' ' ILE . 7.9 mt -108.81 46.42 0.97 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.468 1.105 . . . . 0.0 109.344 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 -132.23 167.09 20.43 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.552 1.157 . . . . 0.0 109.301 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 68.74 144.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.989 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.8 t 38.98 41.77 0.59 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.5 1.125 . . . . 0.0 110.409 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.78 -20.11 54.72 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.432 1.083 . . . . 0.0 110.292 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER 46.31 95.59 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.565 1.166 . . . . 0.0 110.292 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -129.84 164.51 23.96 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.486 1.116 . . . . 0.0 109.204 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -153.31 172.44 17.03 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.433 1.083 . . . . 0.0 109.338 179.935 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 4.2 t -145.71 155.24 42.85 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.474 1.109 . . . . 0.0 110.061 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -167.07 110.54 0.4 Allowed Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.501 1.126 . . . . 0.0 111.065 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 162.52 36.89 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.495 1.787 . . . . 0.0 111.031 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -174.67 -56.47 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 1.101 . . . . 0.0 109.983 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -110.49 157.79 19.22 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.544 1.152 . . . . 0.0 109.984 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.013 0 O-C-N 124.504 1.127 . . . . 0.0 111.025 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.023 0 N-CA-C 111.005 -0.838 . . . . 0.0 111.005 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.1 m -134.99 -58.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 0.755 . . . . 0.0 109.984 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.3 t -137.19 -59.42 0.69 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.974 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.18 162.92 23.76 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.562 1.164 . . . . 0.0 110.943 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -143.43 -59.2 0.41 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.441 0.73 . . . . 0.0 110.031 179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -52.63 149.11 6.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.571 1.17 . . . . 0.0 110.052 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 154.45 110.91 0.4 Allowed Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.468 1.105 . . . . 0.0 111.027 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.498 HD22 HD12 ' A' ' 70' ' ' LEU . 51.8 mt -40.49 -69.32 0.14 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.497 0.763 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.455 ' HD3' ' CB ' ' A' ' 59' ' ' SER . 1.8 ttm-85 -38.75 -54.48 1.58 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 110.27 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.2 tttp -56.45 -47.05 79.96 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.489 1.118 . . . . 0.0 109.349 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.528 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.9 mt-30 -53.59 -47.59 69.99 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 110.297 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.472 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 52.6 t -71.06 -45.35 72.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.325 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -51.55 -49.48 61.94 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.487 1.117 . . . . 0.0 110.281 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -71.65 -39.82 70.08 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 1.142 . . . . 0.0 110.268 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.595 HD22 HD23 ' A' ' 70' ' ' LEU . 2.6 tp -61.13 -52.7 63.76 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.496 1.122 . . . . 0.0 109.328 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.474 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 1.7 m-30 -45.63 -60.56 2.13 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.554 1.159 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.4 mt-10 -51.85 -52.1 51.88 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.514 1.134 . . . . 0.0 110.291 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -39.01 -64.44 0.45 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 110.296 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.554 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 41.3 mmtt -45.2 -59.8 2.45 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.453 1.096 . . . . 0.0 109.313 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 44.3 t80 -51.27 -46.23 62.36 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.436 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -61.26 -38.82 88.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.518 1.136 . . . . 0.0 109.387 179.909 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.6 mt-30 -62.6 -45.52 92.5 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.77 -19.58 29.01 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.602 HG22 ' HE1' ' A' ' 83' ' ' HIS . 6.1 pt -122.99 17.4 5.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.454 1.096 . . . . 0.0 109.256 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.42 ' N ' ' O ' ' A' ' 21' ' ' ALA . 15.6 mmtm 39.04 61.04 1.34 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.45 1.094 . . . . 0.0 109.256 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.512 ' HB2' HG13 ' A' ' 24' ' ' ILE . . . -108.45 120.5 42.6 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.448 1.093 . . . . 0.0 109.347 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -92.14 23.75 3.65 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 109.279 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -136.2 170.06 23.41 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.555 1.16 . . . . 0.0 110.946 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 117.17 4.82 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.485 1.782 . . . . 0.0 110.995 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.409 HG11 HD11 ' A' ' 24' ' ' ILE . 8.7 m -110.33 164.84 6.23 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.467 1.104 . . . . 0.0 109.29 -179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 91.9 m -103.08 145.05 30.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.39 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.474 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 41.9 mt -102.01 119.89 55.43 Favored Pre-proline 0 C--N 1.324 -0.523 0 O-C-N 124.531 1.144 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.446 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.2 Cg_endo -74.9 105.8 2.15 Favored 'Trans proline' 0 C--N 1.359 1.121 0 O-C-N 124.519 1.799 . . . . 0.0 111.01 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.729 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 9.0 m-85 -79.54 -36.11 1.04 Allowed Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.468 1.105 . . . . 0.0 110.964 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.729 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.1 Cg_endo -75.06 -68.65 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.524 1.802 . . . . 0.0 111.001 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.44 ' HB2' ' HB2' ' A' ' 33' ' ' PRO . 40.8 mt -36.75 -54.21 0.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.592 1.182 . . . . 0.0 109.267 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.446 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 2.3 m-85 -49.48 -47.6 48.43 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 111.035 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.453 ' N ' ' O ' ' A' ' 35' ' ' PRO . 3.2 mm-40 -57.71 -35.28 70.42 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.484 1.115 . . . . 0.0 110.332 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . 0.419 ' OG ' ' CD2' ' A' ' 40' ' ' HIS . 71.5 p -83.81 -9.46 58.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 109.988 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.419 ' CD2' ' OG ' ' A' ' 39' ' ' SER . 57.4 m-70 -146.25 68.91 1.19 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.503 1.127 . . . . 0.0 109.524 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 16.0 m -86.0 -12.31 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.536 1.147 . . . . 0.0 109.278 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 9.5 mm-40 -87.01 -8.61 57.01 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.514 1.134 . . . . 0.0 110.332 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -124.96 -51.73 1.68 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.466 1.104 . . . . 0.0 109.295 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 50.4 mt -101.9 112.27 24.83 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.466 1.104 . . . . 0.0 109.391 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.611 ' OH ' HG11 ' A' ' 79' ' ' VAL . 22.0 p90 -160.22 157.64 28.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.736 HG21 ' CE1' ' A' ' 55' ' ' PHE . 28.4 t -101.22 151.02 5.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.504 1.128 . . . . 0.0 109.299 180.0 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.419 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 5.6 mt-10 -136.15 179.83 6.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 1.111 . . . . 0.0 110.315 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.93 1.98 69.68 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.495 1.122 . . . . 0.0 110.968 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 75.0 mt -72.92 155.99 90.11 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.557 0.799 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.926 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.98 -172.67 1.32 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.476 1.777 . . . . 0.0 111.037 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -87.33 139.67 30.32 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.513 1.133 . . . . 0.0 110.279 -179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . . . . . . . . . . . 70.18 29.91 70.04 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.547 1.154 . . . . 0.0 111.029 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.926 HD12 ' HG2' ' A' ' 50' ' ' PRO . 11.0 mt -150.28 96.58 3.44 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.525 0.779 . . . . 0.0 109.298 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 -162.38 0.15 Allowed 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.551 1.816 . . . . 0.0 110.902 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.736 ' CE1' HG21 ' A' ' 46' ' ' VAL . 22.3 t80 -109.99 76.4 0.99 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.518 1.136 . . . . 0.0 111.018 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.432 ' O ' ' C ' ' A' ' 57' ' ' ARG . 8.1 mmt180 -125.01 165.79 17.52 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.458 1.099 . . . . 0.0 110.267 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.432 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.4 OUTLIER -36.58 124.85 0.76 Allowed Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.542 1.151 . . . . 0.0 110.356 179.962 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.523 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.93 1.5 7.63 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.435 1.755 . . . . 0.0 111.005 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.455 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 38.4 p -97.38 9.1 43.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.513 1.133 . . . . 0.0 109.951 -179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.461 HG23 ' O ' ' A' ' 60' ' ' THR . 1.1 t -132.7 15.49 4.38 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.489 1.118 . . . . 0.0 110.439 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.783 ' HB2' HD21 ' A' ' 66' ' ' LEU . 2.6 m-85 -99.62 160.81 14.02 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 124.436 1.085 . . . . 0.0 111.045 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.43 163.38 52.85 Favored Glycine 0 CA--C 1.529 0.956 0 O-C-N 124.423 1.077 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.632 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 21.3 mt -58.95 -44.59 99.09 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.477 0.751 . . . . 0.0 109.341 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.632 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.1 Cg_endo -75.09 -30.37 7.11 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.476 1.777 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.65 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.4 OUTLIER -63.98 -46.11 86.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.557 1.16 . . . . 0.0 110.357 179.961 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.783 HD21 ' HB2' ' A' ' 61' ' ' TYR . 94.5 mt -63.05 -55.42 25.67 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.511 1.132 . . . . 0.0 109.249 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -38.8 -60.09 0.88 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.529 1.143 . . . . 0.0 110.332 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.419 ' HD3' HD11 ' A' ' 53' ' ' ILE . 6.0 mtp180 -48.38 -52.9 19.67 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 110.295 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.545 HG23 HD11 ' A' ' 76' ' ' ILE . 96.8 mt -49.12 -35.69 7.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.488 1.118 . . . . 0.0 109.305 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.595 HD23 HD22 ' A' ' 15' ' ' LEU . 83.2 mt -76.31 -33.89 59.04 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.158 . . . . 0.0 109.309 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 50.1 mt -76.98 -12.89 60.0 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.559 1.162 . . . . 0.0 109.384 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -107.68 -3.59 19.05 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.461 1.101 . . . . 0.0 109.333 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.44 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.8 OUTLIER -47.53 -36.99 11.21 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.54 1.15 . . . . 0.0 109.244 179.998 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -59.22 -27.47 65.78 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.495 1.122 . . . . 0.0 110.323 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.428 ' O ' ' C ' ' A' ' 76' ' ' ILE . 2.6 mtt180 -101.33 -36.93 8.7 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.483 1.114 . . . . 0.0 110.272 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.545 HD11 HG23 ' A' ' 69' ' ' ILE . 28.6 mt -38.41 144.09 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.532 1.145 . . . . 0.0 109.236 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 4.4 ttt180 -160.61 146.94 15.23 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.494 1.121 . . . . 0.0 110.31 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.554 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 4.1 m-85 -111.06 107.03 16.28 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.458 1.099 . . . . 0.0 111.033 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.611 HG11 ' OH ' ' A' ' 45' ' ' TYR . 39.8 t -85.54 135.29 25.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.506 1.129 . . . . 0.0 109.29 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.55 HD13 ' O ' ' A' ' 79' ' ' VAL . 3.1 mm -126.25 75.17 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.464 1.102 . . . . 0.0 109.317 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.52 -51.78 68.43 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.443 1.09 . . . . 0.0 109.272 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.839 ' CB ' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -111.83 124.08 51.6 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.437 1.085 . . . . 0.0 109.298 -179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.602 ' HE1' HG22 ' A' ' 24' ' ' ILE . 1.7 m-70 -88.37 -54.22 4.29 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.514 1.134 . . . . 0.0 109.654 179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -42.01 -45.07 3.75 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.459 1.1 . . . . 0.0 110.292 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.839 HD12 ' CB ' ' A' ' 82' ' ' LYS . 66.5 mt -44.59 -39.84 5.29 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.131 . . . . 0.0 109.31 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.422 ' N ' ' O ' ' A' ' 83' ' ' HIS . 85.1 mt -61.59 -57.32 12.54 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.1 t-20 50.4 93.93 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.523 1.139 . . . . 0.0 109.249 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.96 86.09 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.538 1.149 . . . . 0.0 110.021 179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 55.8 p -78.77 -40.02 34.35 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.508 1.13 . . . . 0.0 110.429 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -102.84 146.39 28.35 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.475 1.109 . . . . 0.0 110.276 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -118.57 144.9 45.78 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.535 1.147 . . . . 0.0 110.318 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -168.17 139.36 2.78 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.491 1.119 . . . . 0.0 109.304 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 5.6 tp -170.54 114.43 0.45 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.499 1.124 . . . . 0.0 109.286 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 13.0 p -177.37 161.26 1.76 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.519 1.137 . . . . 0.0 110.042 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -176.19 168.13 40.14 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.563 1.164 . . . . 0.0 110.977 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 146.72 32.68 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.496 1.787 . . . . 0.0 110.997 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 46.7 t -129.75 -60.57 1.03 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.499 1.125 . . . . 0.0 110.053 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 1.9 m -158.38 -57.79 0.07 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.544 1.153 . . . . 0.0 110.023 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.967 0 O-C-N 124.503 1.127 . . . . 0.0 111.006 179.986 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 N-CA-C 111.008 -0.837 . . . . 0.0 111.008 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.6 m 65.64 83.78 0.16 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.539 0.788 . . . . 0.0 110.01 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t 61.66 116.15 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.026 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 141.74 -87.51 0.19 Allowed Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.47 1.106 . . . . 0.0 111.01 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -58.66 150.34 23.58 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 0.746 . . . . 0.0 109.921 -179.882 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 75.6 m 59.87 105.29 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.607 1.192 . . . . 0.0 109.985 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.58 147.66 17.61 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.524 1.14 . . . . 0.0 111.007 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.532 HD22 HD12 ' A' ' 70' ' ' LEU . 42.1 mt -41.53 -68.2 0.2 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 0.755 . . . . 0.0 109.281 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.504 ' CZ ' ' HB3' ' A' ' 9' ' ' ARG . 1.9 ttm105 -38.81 -53.85 1.65 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.485 1.116 . . . . 0.0 110.281 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.43 -46.47 83.52 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.474 1.109 . . . . 0.0 109.376 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.69 ' HB2' HD11 ' A' ' 70' ' ' LEU . 5.2 mt-30 -54.74 -53.2 58.09 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.591 1.182 . . . . 0.0 110.264 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.486 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 54.2 t -65.82 -44.89 92.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.46 1.1 . . . . 0.0 109.297 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 51.7 mt-10 -49.19 -53.17 22.44 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.469 1.105 . . . . 0.0 110.288 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.2 mm-40 -66.28 -39.73 89.6 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.56 1.163 . . . . 0.0 110.317 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.69 HD21 HD12 ' A' ' 76' ' ' ILE . 1.4 tp -61.58 -61.46 2.51 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.514 1.133 . . . . 0.0 109.319 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.455 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.4 m-30 -37.6 -56.9 1.0 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.554 1.159 . . . . 0.0 111.077 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.402 ' O ' ' C ' ' A' ' 18' ' ' ARG . 3.6 mt-10 -56.95 -53.85 53.28 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.477 1.111 . . . . 0.0 110.313 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . 0.402 ' C ' ' O ' ' A' ' 17' ' ' GLU . 0.9 OUTLIER -38.55 -64.79 0.4 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.569 1.168 . . . . 0.0 110.305 -179.952 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.57 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 59.6 mmtt -43.02 -59.13 2.14 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.426 1.079 . . . . 0.0 109.231 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.585 ' OH ' HD13 ' A' ' 86' ' ' LEU . 51.1 t80 -54.72 -54.31 43.57 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.513 1.133 . . . . 0.0 111.034 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.454 ' O ' ' N ' ' A' ' 26' ' ' ALA . . . -53.15 -38.3 62.6 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.502 1.126 . . . . 0.0 109.279 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 44.6 mm-40 -67.3 -40.21 86.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.497 1.123 . . . . 0.0 110.35 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.13 -18.8 63.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.284 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 3.9 pt -119.87 6.99 6.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.607 1.192 . . . . 0.0 109.285 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.446 ' N ' ' O ' ' A' ' 21' ' ' ALA . 0.2 OUTLIER 49.59 64.34 1.8 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.507 1.129 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -114.43 123.18 48.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.513 1.133 . . . . 0.0 109.304 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 16.2 pttp -92.9 27.15 2.49 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.492 1.12 . . . . 0.0 109.355 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -140.69 169.64 24.79 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.515 1.135 . . . . 0.0 110.948 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 117.13 4.81 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.462 1.77 . . . . 0.0 110.976 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.0 m -110.85 163.86 7.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.289 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 96.9 m -103.04 145.14 30.34 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.452 1.095 . . . . 0.0 110.371 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.455 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 19.2 mt -101.19 119.25 58.38 Favored Pre-proline 0 C--N 1.326 -0.419 0 O-C-N 124.467 1.104 . . . . 0.0 109.316 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.453 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 18.4 Cg_endo -74.97 105.37 2.07 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.525 1.803 . . . . 0.0 111.049 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.749 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 13.0 m-85 -78.39 -34.59 1.06 Allowed Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.376 1.048 . . . . 0.0 110.975 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.749 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -75.01 -69.24 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.11 0 O-C-N 124.496 1.788 . . . . 0.0 111.037 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.453 ' HB2' ' HB2' ' A' ' 33' ' ' PRO . 54.3 mt -36.39 -54.74 0.84 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 109.279 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.532 ' CZ ' ' HB3' ' A' ' 44' ' ' LEU . 3.0 m-85 -51.1 -51.04 57.33 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.418 1.074 . . . . 0.0 111.015 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.404 ' N ' ' O ' ' A' ' 35' ' ' PRO . 2.9 mm-40 -51.58 -33.39 32.4 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.48 1.113 . . . . 0.0 110.293 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -81.79 -27.56 33.66 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.531 1.144 . . . . 0.0 109.98 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.486 ' NE2' HD22 ' A' ' 85' ' ' LEU . 19.3 m-70 -126.53 58.05 1.4 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.537 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.9 m -73.29 -12.43 15.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 109.296 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 26.5 mt-10 -82.84 -25.51 32.56 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.52 1.137 . . . . 0.0 110.305 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.43 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 0.6 OUTLIER -108.47 -55.9 2.33 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.454 1.096 . . . . 0.0 109.297 179.971 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.532 ' HB3' ' CZ ' ' A' ' 37' ' ' PHE . 47.1 mt -93.48 112.45 24.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.461 1.101 . . . . 0.0 109.244 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.551 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 17.2 p90 -161.07 151.02 17.31 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.434 1.084 . . . . 0.0 110.972 179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.698 HG21 ' CE1' ' A' ' 55' ' ' PHE . 30.7 t -97.86 148.41 5.83 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.513 0 O-C-N 124.512 1.132 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 4.5 mt-10 -133.32 -178.77 5.13 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.288 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.95 1.88 69.44 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.485 1.116 . . . . 0.0 110.988 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.431 HD13 ' O ' ' A' ' 54' ' ' PRO . 73.3 mt -69.99 153.49 95.36 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.468 0.746 . . . . 0.0 109.305 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.949 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.1 Cg_endo -75.03 -172.0 1.14 Allowed 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.457 1.767 . . . . 0.0 110.947 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -86.13 137.76 32.42 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.393 1.058 . . . . 0.0 110.294 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.407 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 69.89 29.75 70.7 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.517 1.136 . . . . 0.0 111.014 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.949 HD12 ' HG2' ' A' ' 50' ' ' PRO . 8.0 mt -150.22 95.96 3.53 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.526 0.78 . . . . 0.0 109.301 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.431 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.98 -161.43 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.457 1.767 . . . . 0.0 110.983 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.698 ' CE1' HG21 ' A' ' 46' ' ' VAL . 8.5 t80 -109.59 83.41 1.75 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.543 1.152 . . . . 0.0 111.004 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.438 ' O ' ' C ' ' A' ' 57' ' ' ARG . 0.4 OUTLIER -134.96 165.7 24.73 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.496 1.122 . . . . 0.0 110.253 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.518 ' HB3' HG23 ' A' ' 60' ' ' THR . 2.8 mtt180 -36.17 129.56 0.64 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 110.347 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.486 ' HB3' ' CG1' ' A' ' 12' ' ' VAL . 18.5 Cg_endo -74.94 2.89 6.09 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.519 1.799 . . . . 0.0 111.051 -179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.457 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 1.2 m -97.38 6.35 48.4 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.547 1.154 . . . . 0.0 109.97 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.518 HG23 ' HB3' ' A' ' 57' ' ' ARG . 15.5 p -121.03 -6.3 9.5 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.539 1.15 . . . . 0.0 110.407 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.451 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 9.6 m-85 -86.05 150.39 24.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.548 1.155 . . . . 0.0 111.023 -180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.407 ' C ' ' HD2' ' A' ' 64' ' ' PRO . . . -70.78 164.09 53.34 Favored Glycine 0 CA--C 1.529 0.953 0 O-C-N 124.431 1.082 . . . . 0.0 111.015 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.649 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 34.5 mt -56.11 -43.92 99.47 Favored Pre-proline 0 C--N 1.325 -0.489 0 O-C-N 124.439 0.729 . . . . 0.0 109.334 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -74.99 -32.6 5.25 Favored 'Trans proline' 0 C--N 1.36 1.184 0 O-C-N 124.517 1.799 . . . . 0.0 111.031 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.645 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -64.27 -44.57 91.29 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.533 1.146 . . . . 0.0 110.375 179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.432 HD21 ' HB2' ' A' ' 61' ' ' TYR . 77.5 mt -61.88 -54.42 42.32 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.301 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -39.82 -61.35 0.86 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.518 1.137 . . . . 0.0 110.296 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.5 ' HD3' HD11 ' A' ' 53' ' ' ILE . 0.5 OUTLIER -45.55 -55.04 6.7 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.432 1.083 . . . . 0.0 110.302 179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.607 HD11 ' CG2' ' A' ' 53' ' ' ILE . 89.1 mt -47.89 -38.36 7.08 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.551 1.157 . . . . 0.0 109.287 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.69 HD11 ' HB2' ' A' ' 11' ' ' GLN . 76.9 mt -73.6 -32.8 64.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 68' ' ' ARG . 54.3 mt -76.54 -25.57 54.24 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.514 1.133 . . . . 0.0 109.308 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.467 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -93.47 -2.87 53.97 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 109.322 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.469 ' HB2' HD11 ' A' ' 15' ' ' LEU . 1.5 ptmt -44.18 -46.65 8.94 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.443 1.089 . . . . 0.0 109.315 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 4.4 mt-10 -50.29 -32.04 15.87 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.529 1.143 . . . . 0.0 110.235 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.467 ' N ' ' O ' ' A' ' 72' ' ' ALA . 9.8 mmt180 -94.77 -39.7 10.14 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.546 1.154 . . . . 0.0 110.349 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.69 HD12 HD21 ' A' ' 15' ' ' LEU . 19.5 mt -37.74 142.24 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.432 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 2.8 ttp180 -160.97 142.44 11.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.475 1.109 . . . . 0.0 110.359 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.57 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 4.8 m-85 -107.94 109.8 21.38 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 111.04 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.551 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 39.7 t -89.39 128.44 41.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.433 1.083 . . . . 0.0 109.298 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.495 ' CG2' HD11 ' A' ' 86' ' ' LEU . 3.8 mm -118.98 78.81 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.484 1.115 . . . . 0.0 109.331 -179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.43 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -61.79 -49.61 75.66 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.487 1.117 . . . . 0.0 109.279 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.775 ' CB ' HD12 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -112.57 123.35 50.1 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.517 1.135 . . . . 0.0 109.249 -179.978 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.437 ' O ' ' N ' ' A' ' 86' ' ' LEU . 18.1 m-70 -86.9 -58.7 2.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.432 1.082 . . . . 0.0 109.547 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -40.53 -46.37 2.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.453 1.096 . . . . 0.0 110.292 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.775 HD12 ' CB ' ' A' ' 82' ' ' LYS . 19.5 mt -45.15 -43.97 10.33 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.518 1.137 . . . . 0.0 109.357 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.585 HD13 ' OH ' ' A' ' 20' ' ' TYR . 95.5 mt -55.58 -62.12 1.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.528 1.142 . . . . 0.0 109.286 -179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 71.9 m-20 -59.4 174.35 0.43 Allowed 'General case' 0 C--N 1.326 -0.415 0 O-C-N 124.471 1.107 . . . . 0.0 109.303 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.01 110.03 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.524 1.14 . . . . 0.0 109.989 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.408 ' O ' ' C ' ' A' ' 90' ' ' ARG . 18.4 p -143.82 -47.15 0.28 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.483 1.114 . . . . 0.0 110.461 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 89' ' ' THR . 0.0 OUTLIER 36.93 40.23 0.14 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.125 . . . . 0.0 110.303 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -130.81 99.53 4.96 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 110.353 179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.5 p30 174.75 122.05 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.435 1.085 . . . . 0.0 109.315 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.433 ' HA ' HD22 ' A' ' 93' ' ' LEU . 0.5 OUTLIER -100.63 75.54 1.75 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 109.297 179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -146.26 90.46 1.96 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.543 1.152 . . . . 0.0 110.037 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -145.54 107.06 0.41 Allowed Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.459 1.099 . . . . 0.0 110.993 -179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 78.23 2.94 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.472 1.775 . . . . 0.0 111.007 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -160.33 106.31 1.52 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.452 1.095 . . . . 0.0 110.01 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -131.87 109.36 10.04 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.47 1.106 . . . . 0.0 109.958 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.521 1.138 . . . . 0.0 110.925 -179.969 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -92.82 112.11 23.95 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.496 0.762 . . . . 0.0 109.986 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.4 m 64.58 138.05 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.533 1.145 . . . . 0.0 110.005 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.22 -109.84 3.89 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.463 1.102 . . . . 0.0 111.043 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.1 m -90.82 142.05 28.17 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.457 0.739 . . . . 0.0 110.032 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.8 m -75.38 -68.11 0.59 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.463 1.102 . . . . 0.0 110.014 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.45 143.56 5.51 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.534 1.146 . . . . 0.0 110.956 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.695 HD22 HD12 ' A' ' 70' ' ' LEU . 55.8 mt -45.54 -64.72 0.66 Allowed 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.447 0.733 . . . . 0.0 109.311 179.953 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.492 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 2.3 ttm180 -41.67 -49.77 4.2 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 110.297 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.1 tttp -60.75 -44.21 97.0 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.117 . . . . 0.0 109.254 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.59 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.3 mt-30 -58.06 -52.79 64.06 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.518 1.136 . . . . 0.0 110.292 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.446 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 49.2 t -66.67 -42.68 90.0 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.552 1.157 . . . . 0.0 109.248 -179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -54.02 -54.38 39.95 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 110.325 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -66.81 -34.57 78.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.419 1.074 . . . . 0.0 110.26 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.672 HD21 HD12 ' A' ' 76' ' ' ILE . 1.4 tp -66.0 -54.34 27.31 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.549 1.155 . . . . 0.0 109.235 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.475 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.3 m-30 -44.85 -57.86 3.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.499 1.124 . . . . 0.0 110.961 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -56.05 -50.21 71.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.477 1.11 . . . . 0.0 110.297 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -42.06 -65.15 0.49 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.521 1.138 . . . . 0.0 110.367 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.574 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 38.0 mmtt -43.55 -59.06 2.33 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.538 1.149 . . . . 0.0 109.326 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.755 ' OH ' HD22 ' A' ' 86' ' ' LEU . 54.8 t80 -52.1 -47.97 64.99 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.567 1.167 . . . . 0.0 111.055 179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.508 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -59.86 -38.06 81.06 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.486 1.116 . . . . 0.0 109.348 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -63.77 -43.97 94.82 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 110.306 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.56 -18.13 38.32 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.515 1.135 . . . . 0.0 109.282 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.49 HG13 ' HB2' ' A' ' 26' ' ' ALA . 4.0 pt -123.38 14.35 5.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.394 1.059 . . . . 0.0 109.346 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 21' ' ' ALA . 30.2 mmtt 42.05 60.93 2.1 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.611 1.195 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.508 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -107.21 122.23 46.1 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.496 1.123 . . . . 0.0 109.249 -179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -94.3 28.35 2.57 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.523 1.139 . . . . 0.0 109.271 179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.25 170.04 25.17 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.472 1.107 . . . . 0.0 111.009 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 17.9 Cg_endo -75.12 116.94 4.71 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.479 1.778 . . . . 0.0 110.938 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 15.3 m -110.96 163.93 7.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.508 1.13 . . . . 0.0 109.369 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 86.4 m -103.74 143.14 33.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.522 1.139 . . . . 0.0 110.368 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.475 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 25.8 mt -97.26 120.99 59.99 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.523 1.14 . . . . 0.0 109.249 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.451 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 18.2 Cg_endo -75.07 107.14 2.41 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.54 1.81 . . . . 0.0 110.993 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.734 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 20.5 m-85 -79.62 -35.76 1.0 Allowed Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.529 1.143 . . . . 0.0 111.051 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.734 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.2 Cg_endo -75.05 -69.14 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.431 1.753 . . . . 0.0 110.985 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.451 ' HB2' ' HB2' ' A' ' 33' ' ' PRO . 45.2 mt -36.2 -54.23 0.81 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.284 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.424 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 2.6 m-85 -50.78 -50.24 56.43 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.519 1.137 . . . . 0.0 110.92 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.427 ' N ' ' O ' ' A' ' 35' ' ' PRO . 1.7 mm100 -55.67 -29.85 60.05 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.458 1.099 . . . . 0.0 110.361 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -82.39 -27.79 31.86 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.449 1.093 . . . . 0.0 109.951 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.437 ' CD2' HD22 ' A' ' 85' ' ' LEU . 54.5 m-70 -130.1 69.76 1.44 Allowed 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.459 1.099 . . . . 0.0 109.56 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.6 m -82.01 -9.48 11.82 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.58 1.175 . . . . 0.0 109.328 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 mt-10 -84.84 -31.92 23.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.109 . . . . 0.0 110.293 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.472 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 7.2 m-20 -103.13 -53.14 2.88 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.565 1.166 . . . . 0.0 109.324 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 95.0 mt -95.39 121.07 36.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.445 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 22.9 p90 -170.97 155.13 4.4 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.555 1.159 . . . . 0.0 111.019 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.701 HG21 ' CE1' ' A' ' 55' ' ' PHE . 13.5 t -96.75 153.39 3.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.518 1.136 . . . . 0.0 109.339 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.412 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 11.8 mt-10 -140.57 174.71 10.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.557 1.161 . . . . 0.0 110.279 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.14 1.27 87.74 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.448 1.093 . . . . 0.0 111.043 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.437 HD13 ' O ' ' A' ' 54' ' ' PRO . 56.2 mt -68.55 155.44 92.81 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.496 0.762 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.939 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.94 -165.19 0.27 Allowed 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.53 1.805 . . . . 0.0 111.078 179.942 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -93.15 137.37 32.55 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.463 1.102 . . . . 0.0 110.274 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.425 ' O ' ' NH1' ' A' ' 65' ' ' ARG . . . 70.03 30.31 70.05 Favored Glycine 0 CA--C 1.529 0.962 0 O-C-N 124.567 1.167 . . . . 0.0 111.007 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.939 HD12 ' HG2' ' A' ' 50' ' ' PRO . 6.6 mt -148.68 97.1 3.75 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.478 0.752 . . . . 0.0 109.274 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.437 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.2 Cg_endo -75.03 -159.75 0.09 OUTLIER 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.445 1.761 . . . . 0.0 111.022 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.701 ' CE1' HG21 ' A' ' 46' ' ' VAL . 16.8 t80 -111.65 85.02 2.05 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 111.014 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' ARG . 24.6 mmt180 -136.53 165.66 25.34 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.419 1.074 . . . . 0.0 110.297 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.42 ' C ' ' O ' ' A' ' 56' ' ' ARG . 43.2 mtt180 -37.56 125.37 0.92 Allowed Pre-proline 0 C--N 1.324 -0.508 0 O-C-N 124.428 1.08 . . . . 0.0 110.251 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.561 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.99 1.23 7.96 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.525 1.803 . . . . 0.0 110.988 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.492 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 1.4 p -87.17 2.23 50.57 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.028 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 1.6 p -115.96 -39.16 3.5 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.484 1.115 . . . . 0.0 110.435 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.567 ' HB2' HD21 ' A' ' 66' ' ' LEU . 11.6 m-85 -46.47 144.13 2.3 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.469 1.105 . . . . 0.0 110.965 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.422 ' C ' ' HD2' ' A' ' 64' ' ' PRO . . . -68.2 164.63 47.15 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.498 1.124 . . . . 0.0 110.974 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.649 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 13.6 mt -55.68 -43.75 99.32 Favored Pre-proline 0 C--N 1.326 -0.448 0 O-C-N 124.463 0.743 . . . . 0.0 109.281 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.98 -33.21 4.77 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.472 1.775 . . . . 0.0 110.985 -179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.425 ' NH1' ' O ' ' A' ' 52' ' ' GLY . 0.2 OUTLIER -63.25 -44.75 94.3 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 110.356 179.992 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.567 HD21 ' HB2' ' A' ' 61' ' ' TYR . 89.2 mt -62.06 -54.34 42.81 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.513 1.133 . . . . 0.0 109.302 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -39.11 -56.19 1.49 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.464 1.103 . . . . 0.0 110.272 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.508 ' HD3' HD11 ' A' ' 53' ' ' ILE . 0.8 OUTLIER -51.12 -54.3 26.38 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.512 1.133 . . . . 0.0 110.283 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.522 HD11 ' CG2' ' A' ' 53' ' ' ILE . 85.6 mt -48.34 -35.42 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.364 1.04 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.695 HD12 HD22 ' A' ' 8' ' ' LEU . 77.6 mt -76.47 -31.51 57.82 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.47 1.106 . . . . 0.0 109.299 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.448 ' N ' ' O ' ' A' ' 68' ' ' ARG . 76.8 mt -78.06 -16.47 58.02 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 109.301 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.488 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -103.57 -4.42 23.92 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.61 1.194 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.518 ' HB2' HD11 ' A' ' 15' ' ' LEU . 0.0 OUTLIER -45.9 -34.68 4.03 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.447 1.092 . . . . 0.0 109.265 -179.939 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -59.93 -33.96 72.59 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 110.307 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.488 ' N ' ' O ' ' A' ' 72' ' ' ALA . 3.0 mtt180 -95.02 -35.81 11.81 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.473 1.108 . . . . 0.0 110.357 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.672 HD12 HD21 ' A' ' 15' ' ' LEU . 13.8 mt -37.79 141.53 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.478 1.111 . . . . 0.0 109.308 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 6.4 ttt180 -161.04 145.25 13.53 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.48 1.112 . . . . 0.0 110.339 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.574 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 5.4 m-85 -111.16 108.78 18.56 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.484 1.115 . . . . 0.0 111.002 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.448 ' O ' HD13 ' A' ' 80' ' ' ILE . 18.9 t -88.09 133.22 31.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 O-C-N 124.509 1.131 . . . . 0.0 109.307 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.448 HD13 ' O ' ' A' ' 79' ' ' VAL . 3.6 mm -123.71 70.6 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.481 1.113 . . . . 0.0 109.325 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.472 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 0.1 OUTLIER -55.13 -54.66 40.35 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.48 1.113 . . . . 0.0 109.271 179.984 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.472 ' CB ' HD12 ' A' ' 85' ' ' LEU . 0.1 OUTLIER -103.7 117.38 34.24 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.439 1.087 . . . . 0.0 109.328 -179.99 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 15.9 m-70 -88.82 -50.93 5.92 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.509 1.13 . . . . 0.0 109.631 -179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.0 pt-20 -42.17 -40.58 2.4 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.505 1.128 . . . . 0.0 110.253 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.472 HD12 ' CB ' ' A' ' 82' ' ' LYS . 22.8 mt -44.03 -48.73 8.84 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.534 1.146 . . . . 0.0 109.311 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.755 HD22 ' OH ' ' A' ' 20' ' ' TYR . 19.2 mt -57.61 -68.84 0.2 Allowed 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.499 1.124 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.9 t-20 64.61 113.47 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.129 . . . . 0.0 109.291 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 20.3 m 43.3 86.77 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.43 1.081 . . . . 0.0 109.999 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.411 ' H ' HG23 ' A' ' 89' ' ' THR . 28.4 p -66.3 -44.31 83.82 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.553 1.158 . . . . 0.0 110.452 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -177.79 143.27 0.33 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.313 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.3 pm0 -171.06 128.12 0.72 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 8.9 t0 -171.23 152.0 3.28 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 109.322 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -94.32 59.58 2.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.459 1.1 . . . . 0.0 109.361 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 12.9 p -172.62 115.05 0.29 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.512 1.132 . . . . 0.0 109.99 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -85.53 122.26 5.92 Favored Glycine 0 CA--C 1.528 0.894 0 O-C-N 124.437 1.086 . . . . 0.0 110.999 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 166.36 29.35 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.416 1.745 . . . . 0.0 110.951 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 8.4 t -170.39 148.89 3.26 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.421 1.076 . . . . 0.0 110.018 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -166.88 136.62 2.99 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.475 1.109 . . . . 0.0 110.031 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.527 1.142 . . . . 0.0 111.012 -179.936 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.069 0 N-CA-C 111.014 -0.835 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.71 156.88 44.2 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.507 0.769 . . . . 0.0 110.026 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.5 p -133.63 154.64 50.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.534 1.146 . . . . 0.0 109.95 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.37 -105.23 0.23 Allowed Glycine 0 CA--C 1.531 1.081 0 O-C-N 124.514 1.134 . . . . 0.0 110.969 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 17.3 t -60.28 -59.3 5.63 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.539 0.788 . . . . 0.0 109.976 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.7 m 62.38 165.84 0.11 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.019 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.46 171.0 35.42 Favored Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.508 1.13 . . . . 0.0 111.035 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.713 HD22 HD12 ' A' ' 70' ' ' LEU . 47.9 mt -41.81 -67.72 0.24 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.541 0.789 . . . . 0.0 109.336 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.469 ' CZ ' ' HB3' ' A' ' 59' ' ' SER . 0.0 OUTLIER -39.03 -58.22 1.15 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.532 1.145 . . . . 0.0 110.31 179.918 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.8 tttp -52.82 -47.71 67.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.545 1.153 . . . . 0.0 109.272 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.707 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.4 mt-30 -53.47 -51.28 63.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.479 1.112 . . . . 0.0 110.271 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.487 HG11 ' HB3' ' A' ' 58' ' ' PRO . 54.4 t -65.73 -46.26 89.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.478 1.111 . . . . 0.0 109.251 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.409 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 29.2 mt-10 -49.95 -52.21 35.25 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.55 1.156 . . . . 0.0 110.328 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.1 mm-40 -68.46 -38.59 81.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.476 1.11 . . . . 0.0 110.266 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.953 HD21 HD12 ' A' ' 76' ' ' ILE . 1.2 tp -61.82 -55.54 28.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.472 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.4 m-30 -44.76 -60.83 1.83 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 110.991 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.409 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 2.5 mt-10 -56.22 -49.4 74.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.52 1.137 . . . . 0.0 110.249 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 8.6 mmt180 -42.75 -62.17 1.07 Allowed 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.496 1.122 . . . . 0.0 110.32 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.534 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 47.7 mmtt -46.87 -60.75 2.22 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.526 1.142 . . . . 0.0 109.316 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.404 ' OH ' HD13 ' A' ' 86' ' ' LEU . 54.7 t80 -50.07 -47.7 53.47 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.571 1.169 . . . . 0.0 110.982 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.568 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -59.54 -39.88 85.39 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.442 1.088 . . . . 0.0 109.275 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -62.02 -44.33 96.93 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 110.301 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -58.9 -19.53 43.17 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.505 1.128 . . . . 0.0 109.287 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.502 HG13 ' HB2' ' A' ' 26' ' ' ALA . 4.0 pt -122.62 16.05 5.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.488 1.117 . . . . 0.0 109.306 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.437 ' N ' ' O ' ' A' ' 21' ' ' ALA . 21.0 mtmt 41.4 59.53 2.36 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.57 1.169 . . . . 0.0 109.338 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.568 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -105.02 119.62 39.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.34 25.56 2.91 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.409 1.068 . . . . 0.0 109.317 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.78 169.93 24.44 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.546 1.154 . . . . 0.0 111.034 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 117.35 4.87 Favored 'Trans proline' 0 C--N 1.36 1.149 0 O-C-N 124.489 1.783 . . . . 0.0 110.982 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.5 m -111.53 162.75 8.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 68.2 m -103.45 142.43 34.26 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.47 1.106 . . . . 0.0 110.417 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.472 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 63.3 mt -98.21 118.73 63.18 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.605 1.191 . . . . 0.0 109.28 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.444 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.4 Cg_endo -74.98 109.09 2.86 Favored 'Trans proline' 0 C--N 1.359 1.093 0 O-C-N 124.528 1.804 . . . . 0.0 111.006 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.753 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 14.5 m-85 -78.82 -34.42 0.98 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 111.065 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.753 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.0 Cg_endo -75.08 -70.04 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.464 1.77 . . . . 0.0 110.96 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.457 ' C ' ' O ' ' A' ' 35' ' ' PRO . 89.3 mt -35.84 -54.39 0.74 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.466 1.104 . . . . 0.0 109.307 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.444 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 3.6 m-85 -51.9 -48.42 64.15 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.987 -179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.46 ' N ' ' O ' ' A' ' 35' ' ' PRO . 2.7 mm100 -57.39 -29.17 63.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.456 1.098 . . . . 0.0 110.3 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -84.39 -25.28 29.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.46 1.1 . . . . 0.0 109.948 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.683 ' NE2' HD22 ' A' ' 85' ' ' LEU . 87.6 m-70 -131.42 70.88 1.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.464 1.102 . . . . 0.0 109.561 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.2 m -84.54 -9.19 11.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.339 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -90.72 -4.87 56.39 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.539 1.15 . . . . 0.0 110.307 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.465 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 53.1 m-20 -126.02 -59.38 1.34 Allowed 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.494 1.121 . . . . 0.0 109.297 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.893 HD21 ' O ' ' A' ' 82' ' ' LYS . 15.5 mt -98.68 120.69 39.55 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.522 1.139 . . . . 0.0 109.337 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.811 ' OH ' HG11 ' A' ' 79' ' ' VAL . 39.4 p90 -166.05 155.94 12.26 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.494 1.121 . . . . 0.0 110.983 -179.934 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.739 HG21 ' CE1' ' A' ' 55' ' ' PHE . 23.0 t -99.35 137.04 28.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.506 1.129 . . . . 0.0 109.254 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 4.5 mt-10 -126.86 -177.69 4.12 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.528 1.142 . . . . 0.0 110.34 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.85 1.79 68.56 Favored Glycine 0 CA--C 1.53 1.018 0 O-C-N 124.533 1.146 . . . . 0.0 110.946 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 72.2 mt -70.25 154.81 94.27 Favored Pre-proline 0 C--N 1.325 -0.498 0 O-C-N 124.483 0.755 . . . . 0.0 109.333 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.967 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.99 -174.93 2.11 Favored 'Trans proline' 0 C--N 1.361 1.209 0 O-C-N 124.458 1.767 . . . . 0.0 111.016 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -84.38 139.29 32.35 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.602 1.189 . . . . 0.0 110.285 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.4 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 69.94 30.1 70.37 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.436 1.085 . . . . 0.0 110.966 179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.967 HD12 ' HG2' ' A' ' 50' ' ' PRO . 9.7 mt -150.15 96.72 3.46 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.535 0.785 . . . . 0.0 109.255 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 -162.49 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.449 1.762 . . . . 0.0 111.035 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.739 ' CE1' HG21 ' A' ' 46' ' ' VAL . 9.3 t80 -110.21 84.83 1.99 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.529 1.143 . . . . 0.0 110.971 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' ARG . 10.8 mmt85 -134.98 165.82 24.45 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.446 1.091 . . . . 0.0 110.318 179.956 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.8 OUTLIER -37.5 127.23 0.89 Allowed Pre-proline 0 C--N 1.325 -0.463 0 O-C-N 124.52 1.138 . . . . 0.0 110.287 -179.95 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.573 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -74.98 1.35 7.83 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.497 1.788 . . . . 0.0 111.022 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.469 ' HB3' ' CZ ' ' A' ' 9' ' ' ARG . 80.3 p -94.4 8.34 42.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 109.942 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.41 ' O ' HG23 ' A' ' 60' ' ' THR . 0.6 OUTLIER -129.83 4.5 4.97 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.479 1.112 . . . . 0.0 110.453 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.573 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 4.1 m-30 -90.01 153.06 20.87 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.463 1.102 . . . . 0.0 110.996 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.1 163.04 54.49 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.637 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 23.8 mt -56.8 -44.22 99.68 Favored Pre-proline 0 C--N 1.324 -0.526 0 O-C-N 124.482 0.754 . . . . 0.0 109.259 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.637 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.02 -30.64 6.93 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.465 1.771 . . . . 0.0 111.025 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.657 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.3 OUTLIER -67.99 -39.52 83.25 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.501 1.126 . . . . 0.0 110.294 179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.459 HD21 ' HB2' ' A' ' 61' ' ' TYR . 66.9 mt -67.72 -47.58 68.95 Favored 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.562 1.164 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.445 ' O ' ' N ' ' A' ' 70' ' ' LEU . 0.4 OUTLIER -45.58 -63.92 0.85 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.494 1.121 . . . . 0.0 110.258 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.541 ' HD3' HD11 ' A' ' 53' ' ' ILE . 4.7 mtp180 -44.76 -52.74 8.1 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.57 1.169 . . . . 0.0 110.292 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.551 HD11 ' CG2' ' A' ' 53' ' ' ILE . 95.6 mt -49.79 -32.95 8.02 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.525 1.141 . . . . 0.0 109.295 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.713 HD12 HD22 ' A' ' 8' ' ' LEU . 68.0 mt -81.83 -29.75 32.44 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.454 1.096 . . . . 0.0 109.334 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.424 ' N ' ' O ' ' A' ' 68' ' ' ARG . 10.5 mt -85.06 -3.15 58.69 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.51 1.131 . . . . 0.0 109.321 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.409 ' C ' HG13 ' A' ' 76' ' ' ILE . . . -113.97 -1.88 13.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.459 1.1 . . . . 0.0 109.316 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.595 ' HB2' HD11 ' A' ' 15' ' ' LEU . 2.6 pttp -48.6 -41.4 30.68 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -56.18 -17.29 6.93 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.353 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.402 ' O ' ' C ' ' A' ' 76' ' ' ILE . 18.8 mmt-85 -111.43 -37.46 5.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.531 1.145 . . . . 0.0 110.293 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.953 HD12 HD21 ' A' ' 15' ' ' LEU . 7.2 mt -39.4 140.36 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 O-C-N 124.545 1.153 . . . . 0.0 109.208 -179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.41 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 1.3 ttt180 -157.61 146.32 19.46 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.467 1.104 . . . . 0.0 110.342 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.534 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 7.2 m-85 -113.52 107.14 15.41 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.534 1.146 . . . . 0.0 110.914 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.811 HG11 ' OH ' ' A' ' 45' ' ' TYR . 40.6 t -85.07 119.3 33.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.514 1.133 . . . . 0.0 109.346 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.698 HG21 ' CE1' ' A' ' 83' ' ' HIS . 6.5 mm -112.06 74.6 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.509 1.13 . . . . 0.0 109.297 -179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.465 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 8.7 mttt -61.48 -54.25 45.87 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.52 1.138 . . . . 0.0 109.34 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.921 ' CB ' HD12 ' A' ' 85' ' ' LEU . 7.3 mmtt -107.34 117.92 35.34 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.55 1.156 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.698 ' CE1' HG21 ' A' ' 80' ' ' ILE . 21.3 m-70 -86.84 -52.11 5.68 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.483 1.114 . . . . 0.0 109.581 -179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 85' ' ' LEU . 14.0 pt-20 -46.45 -44.2 17.23 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.532 1.145 . . . . 0.0 110.338 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.921 HD12 ' CB ' ' A' ' 82' ' ' LYS . 24.2 mt -43.69 -31.02 0.7 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.404 HD13 ' OH ' ' A' ' 20' ' ' TYR . 86.3 mt -66.74 -60.41 2.71 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.505 1.128 . . . . 0.0 109.29 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.9 t-20 49.72 95.74 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.518 1.136 . . . . 0.0 109.326 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 11.8 t -161.25 -60.84 0.05 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.584 1.177 . . . . 0.0 109.955 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.7 t 40.24 42.08 1.13 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.571 1.169 . . . . 0.0 110.467 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -163.63 94.32 0.77 Allowed 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.46 1.1 . . . . 0.0 110.301 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -176.11 90.13 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.514 1.134 . . . . 0.0 110.297 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 13.0 t0 178.47 110.21 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.355 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER 65.32 150.83 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.632 1.208 . . . . 0.0 109.302 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 32.8 p -78.49 -56.07 4.72 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.464 1.102 . . . . 0.0 109.961 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 102.03 150.36 23.11 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.496 1.122 . . . . 0.0 111.05 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.9 165.47 31.32 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.435 1.755 . . . . 0.0 111.002 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -102.55 79.02 1.77 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.438 1.086 . . . . 0.0 110.026 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.5 m -139.84 157.99 44.81 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 110.009 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 O-C-N 124.477 1.111 . . . . 0.0 110.995 179.999 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.021 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.4 t -48.08 136.0 12.21 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.496 0.763 . . . . 0.0 109.987 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 61.82 111.26 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.571 1.17 . . . . 0.0 109.967 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.51 -150.75 14.92 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.476 1.11 . . . . 0.0 110.993 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER 61.58 104.08 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.489 0.758 . . . . 0.0 109.987 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.6 p -127.16 128.82 46.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.494 1.121 . . . . 0.0 109.959 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.41 -179.51 16.11 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.464 1.103 . . . . 0.0 111.003 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.625 HD22 HD12 ' A' ' 70' ' ' LEU . 66.7 mt -43.0 -65.2 0.51 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.475 0.75 . . . . 0.0 109.249 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.478 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 1.0 OUTLIER -39.46 -55.58 1.76 Allowed 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.57 1.169 . . . . 0.0 110.345 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.3 ttpp -53.62 -43.39 68.65 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.477 1.111 . . . . 0.0 109.312 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.555 ' HB2' HD11 ' A' ' 70' ' ' LEU . 5.8 mt-30 -57.73 -50.24 73.89 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.539 1.149 . . . . 0.0 110.321 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 53.0 t -67.36 -44.31 87.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.472 1.107 . . . . 0.0 109.253 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.402 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 40.9 mt-10 -51.34 -54.43 26.38 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.58 1.175 . . . . 0.0 110.291 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -65.43 -36.01 82.64 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.464 1.103 . . . . 0.0 110.271 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.695 HD21 HD12 ' A' ' 76' ' ' ILE . 2.1 tp -64.47 -58.48 6.29 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.522 1.139 . . . . 0.0 109.331 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.3 m-30 -40.96 -51.76 3.2 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.578 1.174 . . . . 0.0 111.028 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 3.2 mt-10 -62.78 -51.14 68.26 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.441 1.088 . . . . 0.0 110.323 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -40.84 -62.89 0.73 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.384 1.052 . . . . 0.0 110.285 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.573 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 43.3 mmtt -47.24 -60.79 2.25 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.538 1.149 . . . . 0.0 109.229 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.533 ' OH ' HD13 ' A' ' 86' ' ' LEU . 49.8 t80 -50.26 -51.73 42.22 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.484 1.115 . . . . 0.0 110.967 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.543 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -56.15 -40.25 73.57 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.535 1.147 . . . . 0.0 109.326 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -64.48 -39.33 93.59 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.547 1.154 . . . . 0.0 110.342 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.32 -15.54 57.65 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.551 HG22 ' HE1' ' A' ' 83' ' ' HIS . 5.5 pt -124.14 7.06 4.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.501 1.126 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.463 ' N ' ' O ' ' A' ' 21' ' ' ALA . 21.0 mmtp 52.85 58.84 4.94 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.451 1.094 . . . . 0.0 109.238 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.543 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -109.6 120.36 42.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.566 1.166 . . . . 0.0 109.279 179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.8 tttt -92.54 23.82 3.81 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.45 1.094 . . . . 0.0 109.301 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -136.5 170.01 23.53 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.482 1.113 . . . . 0.0 110.982 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.07 118.1 5.13 Favored 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.501 1.79 . . . . 0.0 110.969 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.5 m -111.96 161.36 10.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.499 1.125 . . . . 0.0 109.302 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 23.8 m -103.18 138.85 39.44 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.484 1.115 . . . . 0.0 110.459 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.2 mt -96.57 115.26 65.57 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.109 . . . . 0.0 109.287 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.455 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 18.5 Cg_endo -74.91 117.83 5.06 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.481 1.779 . . . . 0.0 110.978 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.744 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 18.5 m-85 -77.51 -33.83 1.09 Allowed Pre-proline 0 C--N 1.325 -0.482 0 O-C-N 124.494 1.121 . . . . 0.0 111.019 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.744 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -75.05 -68.9 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.54 1.811 . . . . 0.0 110.947 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.455 ' HB2' ' HB2' ' A' ' 33' ' ' PRO . 27.0 mt -37.17 -44.52 0.57 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.481 1.113 . . . . 0.0 109.234 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -70.52 -45.05 66.32 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.494 1.121 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.478 ' N ' ' O ' ' A' ' 35' ' ' PRO . 1.9 tt0 -62.37 -37.34 85.33 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.449 1.093 . . . . 0.0 110.264 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.79 -27.79 63.18 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.457 1.098 . . . . 0.0 110.025 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -130.48 69.9 1.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.47 1.106 . . . . 0.0 109.55 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.3 m -80.8 -8.2 11.21 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.139 . . . . 0.0 109.254 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -88.34 -15.31 36.0 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 110.293 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.459 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 2.5 m-20 -116.49 -58.31 2.1 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.552 1.157 . . . . 0.0 109.316 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.846 HD21 ' O ' ' A' ' 82' ' ' LYS . 12.9 mt -95.34 114.04 25.77 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.332 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.575 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 16.2 p90 -159.39 151.89 21.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.506 1.129 . . . . 0.0 110.998 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.65 HG21 ' CE1' ' A' ' 55' ' ' PHE . 4.4 t -94.3 143.24 12.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.417 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 4.4 mt-10 -128.55 178.19 6.48 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.554 1.159 . . . . 0.0 110.269 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.35 1.43 69.98 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.523 1.14 . . . . 0.0 111.002 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 54' ' ' PRO . 41.4 mt -68.33 153.25 95.83 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.48 0.753 . . . . 0.0 109.27 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.943 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.98 -176.29 2.8 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.412 1.743 . . . . 0.0 111.029 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -83.38 138.75 33.37 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.461 1.101 . . . . 0.0 110.288 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.407 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 69.93 29.58 70.74 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.536 1.148 . . . . 0.0 110.965 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.943 HD12 ' HG2' ' A' ' 50' ' ' PRO . 7.6 mt -150.05 95.88 3.58 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.494 0.761 . . . . 0.0 109.291 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.402 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.0 Cg_endo -75.04 -161.84 0.13 Allowed 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.504 1.792 . . . . 0.0 111.004 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.65 ' CE1' HG21 ' A' ' 46' ' ' VAL . 13.1 t80 -108.27 87.59 2.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.473 1.108 . . . . 0.0 110.99 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.438 ' N ' ' OH ' ' A' ' 61' ' ' TYR . 60.3 mmt-85 -139.22 165.67 26.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.462 1.101 . . . . 0.0 110.252 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 56' ' ' ARG . 3.6 mtt180 -37.29 126.06 0.86 Allowed Pre-proline 0 C--N 1.326 -0.452 0 O-C-N 124.52 1.138 . . . . 0.0 110.327 -179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.516 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.1 Cg_endo -75.08 0.65 8.69 Favored 'Trans proline' 0 C--N 1.36 1.171 0 O-C-N 124.476 1.777 . . . . 0.0 110.918 -179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.478 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 24.7 p -94.8 3.11 55.4 Favored 'General case' 0 C--N 1.324 -0.543 0 O-C-N 124.523 1.14 . . . . 0.0 110.017 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -118.35 -11.26 10.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.517 1.136 . . . . 0.0 110.432 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.672 ' HB2' HD21 ' A' ' 66' ' ' LEU . 7.0 m-85 -77.31 159.74 29.34 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -78.52 163.68 50.24 Favored Glycine 0 CA--C 1.532 1.095 0 O-C-N 124.46 1.1 . . . . 0.0 110.974 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.643 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 4.3 mt -57.2 -44.22 99.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.536 0.786 . . . . 0.0 109.328 179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.643 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.95 -33.18 4.84 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.484 1.781 . . . . 0.0 111.001 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.59 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -65.25 -37.57 87.63 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.282 179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.672 HD21 ' HB2' ' A' ' 61' ' ' TYR . 84.4 mt -69.32 -49.71 53.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.518 1.136 . . . . 0.0 109.275 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -43.39 -59.19 2.23 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.478 1.111 . . . . 0.0 110.28 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . . . . . . . . . 3.5 mtt-85 -48.31 -52.73 20.12 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.132 . . . . 0.0 110.267 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.585 HD11 ' CG2' ' A' ' 53' ' ' ILE . 83.0 mt -49.41 -37.23 10.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.474 1.109 . . . . 0.0 109.292 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.625 HD12 HD22 ' A' ' 8' ' ' LEU . 61.8 mt -73.73 -33.28 64.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.454 1.096 . . . . 0.0 109.291 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 62.4 mt -77.7 -15.53 59.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.513 1.133 . . . . 0.0 109.325 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -103.0 -4.48 24.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.555 1.159 . . . . 0.0 109.313 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.46 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 1.1 pttt -47.6 -41.6 22.1 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.574 1.171 . . . . 0.0 109.304 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 13.3 mt-10 -56.88 -22.11 34.61 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.517 1.135 . . . . 0.0 110.338 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.457 ' N ' ' O ' ' A' ' 72' ' ' ALA . 3.3 mtt-85 -106.31 -36.67 6.78 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.523 1.139 . . . . 0.0 110.313 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.695 HD12 HD21 ' A' ' 15' ' ' LEU . 40.0 mt -39.06 145.12 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 O-C-N 124.576 1.173 . . . . 0.0 109.308 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.425 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 0.2 OUTLIER -163.08 145.68 10.37 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.462 1.101 . . . . 0.0 110.292 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.573 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 8.1 m-85 -110.83 108.65 18.54 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.405 1.066 . . . . 0.0 110.937 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.575 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 29.8 t -89.98 117.1 32.6 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.449 1.093 . . . . 0.0 109.281 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.569 HG21 ' CE1' ' A' ' 83' ' ' HIS . 13.2 mm -105.35 68.27 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.571 1.17 . . . . 0.0 109.287 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.459 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -47.44 -61.06 2.1 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.584 1.178 . . . . 0.0 109.312 179.997 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.846 ' O ' HD21 ' A' ' 44' ' ' LEU . 0.0 OUTLIER -102.03 120.45 40.44 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.488 1.118 . . . . 0.0 109.264 -179.985 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.569 ' CE1' HG21 ' A' ' 80' ' ' ILE . 0.7 OUTLIER -87.21 -59.59 2.21 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.445 1.09 . . . . 0.0 109.589 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 20.9 pt-20 -42.73 -38.09 1.97 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.53 1.143 . . . . 0.0 110.273 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.762 HD12 ' HB2' ' A' ' 82' ' ' LYS . 12.7 mt -45.95 -40.61 10.53 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.301 179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.533 HD13 ' OH ' ' A' ' 20' ' ' TYR . 96.2 mt -64.33 -56.14 16.43 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.539 1.149 . . . . 0.0 109.282 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 60.5 m-20 -63.68 166.26 7.22 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.512 1.133 . . . . 0.0 109.319 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.514 ' O ' HG22 ' A' ' 89' ' ' THR . 23.3 p -154.05 -59.49 0.12 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.545 1.153 . . . . 0.0 110.04 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.514 HG22 ' O ' ' A' ' 88' ' ' SER . 11.6 t 43.9 38.27 2.07 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.13 . . . . 0.0 110.379 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 75.42 98.95 0.07 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.465 1.103 . . . . 0.0 110.329 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.4 mt-10 -78.45 135.7 37.45 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.136 . . . . 0.0 110.314 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 6.2 t0 -160.16 123.84 3.6 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.475 1.109 . . . . 0.0 109.305 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER 63.51 161.44 0.1 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.485 1.116 . . . . 0.0 109.332 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 7.0 t -60.48 -57.67 11.74 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.506 1.129 . . . . 0.0 110.017 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -78.26 120.15 5.35 Favored Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.402 1.064 . . . . 0.0 111.015 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 179.21 6.3 Favored 'Trans proline' 0 C--N 1.359 1.105 0 O-C-N 124.514 1.797 . . . . 0.0 111.017 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 64.1 p -164.37 134.53 4.04 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.123 . . . . 0.0 109.966 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -162.45 -58.67 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.508 1.13 . . . . 0.0 109.977 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.046 0 O-C-N 124.435 1.084 . . . . 0.0 110.981 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.012 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.95 160.82 39.62 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.459 0.74 . . . . 0.0 110.043 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t 66.36 96.61 0.05 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.519 1.137 . . . . 0.0 110.01 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 92.93 177.4 40.86 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.555 1.159 . . . . 0.0 110.954 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -162.13 111.38 1.48 Allowed 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.507 0.769 . . . . 0.0 110.004 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -147.67 126.38 12.59 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.486 1.116 . . . . 0.0 109.986 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 105.71 124.01 5.27 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.513 1.133 . . . . 0.0 110.977 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.683 HD22 HD12 ' A' ' 70' ' ' LEU . 49.9 mt -41.19 -64.85 0.5 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 0.771 . . . . 0.0 109.296 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.488 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -42.22 -55.08 3.43 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.512 1.132 . . . . 0.0 110.277 -179.972 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.6 ttpt -56.47 -47.08 79.94 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.45 1.094 . . . . 0.0 109.293 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.75 ' HB2' HD11 ' A' ' 70' ' ' LEU . 3.6 mt-30 -54.78 -51.29 66.18 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.483 1.114 . . . . 0.0 110.317 179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.471 HG11 ' HB3' ' A' ' 58' ' ' PRO . 54.9 t -66.2 -44.64 91.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.519 1.137 . . . . 0.0 109.327 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -52.51 -55.0 25.08 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.534 1.146 . . . . 0.0 110.3 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -65.53 -32.3 73.82 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.431 1.082 . . . . 0.0 110.342 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.723 HD21 HD12 ' A' ' 76' ' ' ILE . 4.1 tp -68.41 -57.01 6.52 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 109.266 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.46 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.9 m-30 -42.86 -55.27 3.77 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.447 1.092 . . . . 0.0 110.997 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -57.34 -53.31 59.59 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.541 1.151 . . . . 0.0 110.327 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.5 -64.44 0.43 Allowed 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.444 1.09 . . . . 0.0 110.32 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.574 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 43.6 mmtt -45.79 -58.34 3.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.275 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 64.4 t80 -52.6 -57.88 8.58 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 111.022 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.614 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -51.11 -41.82 60.27 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.478 1.111 . . . . 0.0 109.317 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -62.66 -39.78 95.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 110.339 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -61.81 -25.02 67.24 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.432 1.083 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.9 pt -113.11 7.69 7.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 O-C-N 124.604 1.19 . . . . 0.0 109.206 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.449 ' N ' ' O ' ' A' ' 21' ' ' ALA . 6.5 mtmt 52.32 59.07 4.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.53 1.143 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.614 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -107.72 124.17 49.61 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.409 1.068 . . . . 0.0 109.291 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 7.2 tttt -95.95 25.57 4.67 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.506 1.129 . . . . 0.0 109.271 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -140.14 170.11 24.46 Favored Glycine 0 CA--C 1.531 1.051 0 O-C-N 124.538 1.148 . . . . 0.0 111.022 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 117.41 4.9 Favored 'Trans proline' 0 C--N 1.359 1.115 0 O-C-N 124.534 1.807 . . . . 0.0 110.962 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 26.1 m -112.85 163.82 9.5 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.528 1.142 . . . . 0.0 109.308 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 92.6 m -103.84 144.24 31.76 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.478 1.111 . . . . 0.0 110.38 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.46 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 47.6 mt -99.86 115.62 65.41 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.572 1.17 . . . . 0.0 109.326 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.463 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 18.2 Cg_endo -74.98 116.79 4.7 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.582 1.832 . . . . 0.0 110.982 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.742 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 22.0 m-85 -77.23 -33.86 1.13 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.556 1.16 . . . . 0.0 110.967 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.742 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -74.96 -68.72 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.451 1.764 . . . . 0.0 111.056 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.463 ' HB2' ' HB2' ' A' ' 33' ' ' PRO . 67.5 mt -37.26 -45.06 0.63 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.504 1.127 . . . . 0.0 109.297 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 8.4 m-85 -69.87 -44.94 68.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.407 1.067 . . . . 0.0 111.041 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.477 ' N ' ' O ' ' A' ' 35' ' ' PRO . 2.8 tt0 -62.63 -43.62 98.36 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.542 1.151 . . . . 0.0 110.347 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -68.0 -32.69 73.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.478 1.111 . . . . 0.0 109.965 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 89.5 m-70 -124.88 71.33 1.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.539 1.149 . . . . 0.0 109.572 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 5.5 m -81.96 -11.39 12.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.563 1.165 . . . . 0.0 109.287 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 13.0 mm-40 -89.23 -3.51 58.53 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.463 1.102 . . . . 0.0 110.286 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 41.9 m-20 -123.48 -54.57 1.77 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.871 HD13 HD21 ' A' ' 86' ' ' LEU . 8.6 mt -106.45 117.39 33.93 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.428 1.08 . . . . 0.0 109.336 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.558 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 18.1 p90 -158.06 152.09 24.12 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.578 1.174 . . . . 0.0 110.973 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.689 HG21 ' CE1' ' A' ' 55' ' ' PHE . 7.6 t -94.57 138.16 21.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.547 1.155 . . . . 0.0 109.229 -179.924 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.427 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 7.6 mt-10 -125.85 178.97 5.41 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.509 1.131 . . . . 0.0 110.284 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.66 1.55 72.12 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.434 1.084 . . . . 0.0 110.965 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 60.1 mt -68.37 155.89 91.52 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.44 0.73 . . . . 0.0 109.37 179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.959 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.02 -170.34 0.77 Allowed 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.503 1.791 . . . . 0.0 111.027 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -88.92 138.51 31.34 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.519 1.137 . . . . 0.0 110.278 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.439 ' O ' ' NH1' ' A' ' 65' ' ' ARG . . . 69.45 30.39 71.25 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.479 1.112 . . . . 0.0 111.042 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.959 HD12 ' HG2' ' A' ' 50' ' ' PRO . 7.7 mt -149.05 96.7 3.7 Favored Pre-proline 0 C--N 1.325 -0.469 0 O-C-N 124.476 0.751 . . . . 0.0 109.277 -179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.05 -162.58 0.15 Allowed 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.446 1.761 . . . . 0.0 110.967 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.689 ' CE1' HG21 ' A' ' 46' ' ' VAL . 14.1 t80 -108.77 86.34 2.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 110.965 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.425 ' N ' ' OH ' ' A' ' 61' ' ' TYR . 12.2 mmt180 -136.55 165.49 25.74 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.558 1.161 . . . . 0.0 110.252 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.424 ' C ' ' O ' ' A' ' 56' ' ' ARG . 3.1 mtt180 -37.29 126.83 0.85 Allowed Pre-proline 0 C--N 1.326 -0.449 0 O-C-N 124.426 1.078 . . . . 0.0 110.285 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.516 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.4 Cg_endo -74.96 1.24 7.93 Favored 'Trans proline' 0 C--N 1.361 1.236 0 O-C-N 124.45 1.763 . . . . 0.0 110.977 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.488 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 25.1 p -96.32 8.16 44.65 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.514 1.134 . . . . 0.0 109.974 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -127.03 1.13 6.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.511 1.132 . . . . 0.0 110.42 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.632 ' HB2' HD21 ' A' ' 66' ' ' LEU . 5.3 m-85 -89.04 156.56 18.78 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.502 1.126 . . . . 0.0 111.034 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -74.63 163.52 54.38 Favored Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.48 1.112 . . . . 0.0 111.027 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.644 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 3.4 mt -57.18 -44.18 99.59 Favored Pre-proline 0 C--N 1.325 -0.487 0 O-C-N 124.507 0.769 . . . . 0.0 109.291 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.644 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -75.03 -32.48 5.31 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.556 1.819 . . . . 0.0 110.96 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.439 ' NH1' ' O ' ' A' ' 52' ' ' GLY . 0.3 OUTLIER -64.72 -40.22 94.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 110.299 -179.944 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.632 HD21 ' HB2' ' A' ' 61' ' ' TYR . 89.9 mt -67.95 -50.13 57.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.498 1.124 . . . . 0.0 109.288 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -44.35 -61.4 1.53 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.508 1.13 . . . . 0.0 110.349 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.527 ' HD3' HD11 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -46.05 -51.96 12.78 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.553 1.158 . . . . 0.0 110.306 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.558 HD11 ' CG2' ' A' ' 53' ' ' ILE . 87.0 mt -50.58 -39.39 17.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.547 1.154 . . . . 0.0 109.294 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.75 HD11 ' HB2' ' A' ' 11' ' ' GLN . 42.9 mt -72.05 -29.18 63.89 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.521 1.138 . . . . 0.0 109.251 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 63.7 mt -81.78 -15.87 52.81 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.289 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.459 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -102.37 -4.57 25.33 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.469 1.106 . . . . 0.0 109.269 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.454 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.2 OUTLIER -46.38 -44.49 17.11 Favored 'General case' 0 C--N 1.326 -0.437 0 O-C-N 124.456 1.098 . . . . 0.0 109.333 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.7 mt-10 -53.85 -23.34 12.1 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.514 1.134 . . . . 0.0 110.229 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.459 ' N ' ' O ' ' A' ' 72' ' ' ALA . 11.6 mmt180 -104.75 -37.85 6.91 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.477 1.11 . . . . 0.0 110.298 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.723 HD12 HD21 ' A' ' 15' ' ' LEU . 44.3 mt -38.59 144.92 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . . . . . . . . . 18.7 ttt180 -162.72 146.31 11.29 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.525 1.14 . . . . 0.0 110.316 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.574 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 7.7 m-85 -112.8 107.55 16.22 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.412 1.07 . . . . 0.0 110.983 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.558 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 23.3 t -88.1 118.21 33.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.11 . . . . 0.0 109.288 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.534 HG21 ' CE1' ' A' ' 83' ' ' HIS . 13.8 mm -106.74 78.77 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.487 1.117 . . . . 0.0 109.251 -180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -57.9 -61.26 2.66 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.474 1.109 . . . . 0.0 109.272 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.904 ' CB ' HD12 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -98.29 116.42 30.48 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.534 ' CE1' HG21 ' A' ' 80' ' ' ILE . 2.4 m-70 -87.37 -51.31 6.02 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 109.592 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.2 pt-20 -48.71 -44.14 37.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.514 1.134 . . . . 0.0 110.305 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.904 HD12 ' CB ' ' A' ' 82' ' ' LYS . 19.0 mt -45.33 -31.26 1.54 Allowed 'General case' 0 C--N 1.326 -0.428 0 O-C-N 124.514 1.134 . . . . 0.0 109.282 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.871 HD21 HD13 ' A' ' 44' ' ' LEU . 17.0 mt -89.18 -72.04 0.57 Allowed 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.515 1.134 . . . . 0.0 109.262 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 67.7 109.25 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.466 1.104 . . . . 0.0 109.245 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 54.2 p -153.91 118.64 4.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 1.118 . . . . 0.0 110.02 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.442 ' O ' HG23 ' A' ' 89' ' ' THR . 6.7 t -141.28 56.69 1.54 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.407 1.067 . . . . 0.0 110.424 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.18 152.63 26.84 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 110.324 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -160.05 82.28 0.71 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.436 1.085 . . . . 0.0 110.315 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -110.81 154.48 23.91 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.815 HD22 ' N ' ' A' ' 94' ' ' SER . 0.0 OUTLIER -149.05 158.02 43.86 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.483 1.114 . . . . 0.0 109.331 -179.962 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.815 ' N ' HD22 ' A' ' 93' ' ' LEU . 15.8 t -146.12 -50.11 0.22 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 109.979 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 93.87 160.53 34.89 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 111.011 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.05 122.15 7.01 Favored 'Trans proline' 0 C--N 1.359 1.113 0 O-C-N 124.526 1.803 . . . . 0.0 110.953 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -158.22 89.63 1.0 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.571 1.169 . . . . 0.0 109.942 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 2.5 t -56.9 160.22 3.63 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.568 1.167 . . . . 0.0 110.013 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.917 0 O-C-N 124.425 1.078 . . . . 0.0 111.015 179.994 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 N-CA-C 110.977 -0.849 . . . . 0.0 110.977 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.3 t 63.48 145.73 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.487 0.757 . . . . 0.0 109.925 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 84.7 p -179.19 158.44 0.89 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.534 1.146 . . . . 0.0 110.017 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.24 167.71 41.2 Favored Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.489 1.118 . . . . 0.0 111.013 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.7 p -139.51 114.76 9.72 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.48 0.753 . . . . 0.0 109.98 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -147.45 91.37 1.96 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.481 1.113 . . . . 0.0 110.025 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 144.94 126.23 1.87 Allowed Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.476 1.11 . . . . 0.0 111.078 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.621 HD22 HD12 ' A' ' 70' ' ' LEU . 24.0 mt -40.23 -65.98 0.35 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.556 0.798 . . . . 0.0 109.305 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 4.2 ttp180 -40.16 -52.81 2.55 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.449 1.093 . . . . 0.0 110.274 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -57.19 -44.73 83.87 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.447 1.092 . . . . 0.0 109.336 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.648 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.3 mt-30 -55.78 -50.19 71.14 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.541 1.151 . . . . 0.0 110.324 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.488 HG11 ' HB3' ' A' ' 58' ' ' PRO . 50.2 t -68.82 -48.96 68.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.438 1.086 . . . . 0.0 109.289 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -49.47 -48.64 47.61 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 110.301 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -71.35 -40.23 70.81 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.543 1.152 . . . . 0.0 110.347 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.656 HD21 HD12 ' A' ' 76' ' ' ILE . 3.9 tp -60.63 -53.5 56.7 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.537 1.148 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.48 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.2 m-30 -44.7 -59.08 2.67 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.572 1.17 . . . . 0.0 110.925 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -53.34 -49.75 66.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.45 1.094 . . . . 0.0 110.276 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.1 mtt180 -42.94 -63.87 0.72 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.51 1.131 . . . . 0.0 110.316 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.492 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 58.6 mmtt -44.03 -62.76 1.03 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.448 1.093 . . . . 0.0 109.265 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.57 ' OH ' HD13 ' A' ' 86' ' ' LEU . 48.2 t80 -50.25 -43.39 53.1 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.518 1.136 . . . . 0.0 111.067 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.494 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -63.0 -38.56 91.67 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.559 1.162 . . . . 0.0 109.301 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 4.0 mt-30 -62.96 -46.08 89.41 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.515 1.134 . . . . 0.0 110.264 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.05 -19.54 19.48 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.466 1.104 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.512 HG13 ' HB2' ' A' ' 26' ' ' ALA . 4.7 pt -122.4 17.74 5.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.521 1.138 . . . . 0.0 109.289 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 24' ' ' ILE . 3.2 mmtt 39.12 60.88 1.39 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.523 1.139 . . . . 0.0 109.334 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.512 ' HB2' HG13 ' A' ' 24' ' ' ILE . . . -107.98 126.85 53.19 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.561 1.163 . . . . 0.0 109.296 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.5 ptmt -95.84 10.97 35.35 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.551 1.157 . . . . 0.0 109.357 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -124.05 169.79 16.19 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.5 1.125 . . . . 0.0 111.058 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 117.27 4.85 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.438 1.757 . . . . 0.0 110.989 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.486 HG11 HD11 ' A' ' 24' ' ' ILE . 12.7 m -109.05 164.99 5.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.42 1.075 . . . . 0.0 109.319 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 90.8 m -103.35 145.98 29.16 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.48 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 42.9 mt -102.75 118.82 57.51 Favored Pre-proline 0 C--N 1.324 -0.516 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.465 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.0 Cg_endo -75.04 108.13 2.64 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.466 1.772 . . . . 0.0 110.978 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.721 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 11.2 m-85 -79.66 -36.8 1.09 Allowed Pre-proline 0 C--N 1.324 -0.52 0 O-C-N 124.468 1.105 . . . . 0.0 110.995 179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.721 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.1 Cg_endo -74.92 -69.49 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.537 1.809 . . . . 0.0 111.025 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.454 ' C ' ' O ' ' A' ' 35' ' ' PRO . 44.1 mt -35.79 -52.21 0.7 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.461 1.101 . . . . 0.0 109.302 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.465 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 2.4 m-85 -51.67 -51.26 57.25 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.547 1.154 . . . . 0.0 111.04 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.431 ' N ' ' O ' ' A' ' 35' ' ' PRO . 1.8 mm-40 -49.8 -41.03 43.63 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.518 1.136 . . . . 0.0 110.332 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 4.2 t -72.7 -29.26 63.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.518 1.136 . . . . 0.0 109.954 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.67 ' NE2' HD22 ' A' ' 85' ' ' LEU . 26.3 m-70 -126.91 71.61 1.32 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.507 1.129 . . . . 0.0 109.591 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 10.8 m -85.23 -13.66 11.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.501 1.126 . . . . 0.0 109.309 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -83.2 -23.28 32.91 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.478 1.111 . . . . 0.0 110.256 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.467 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 0.4 OUTLIER -112.84 -54.29 2.64 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 109.303 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.513 HD21 ' O ' ' A' ' 82' ' ' LYS . 92.1 mt -94.21 112.44 24.25 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.476 1.11 . . . . 0.0 109.305 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.568 ' OH ' HG11 ' A' ' 79' ' ' VAL . 51.6 p90 -167.05 157.76 11.73 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.559 1.162 . . . . 0.0 110.992 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.57 HG21 ' CE1' ' A' ' 55' ' ' PHE . 37.8 t -101.63 152.6 5.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.46 1.1 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.43 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 2.0 mt-10 -138.51 -178.9 5.5 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.515 1.135 . . . . 0.0 110.249 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.63 1.64 66.87 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.471 1.107 . . . . 0.0 110.937 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 74.1 mt -69.65 155.1 94.11 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.56 0.8 . . . . 0.0 109.308 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.954 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.95 -173.72 1.67 Allowed 'Trans proline' 0 C--N 1.361 1.213 0 O-C-N 124.489 1.784 . . . . 0.0 111.074 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -85.72 138.66 31.96 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 1.105 . . . . 0.0 110.268 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.413 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 70.01 29.23 70.85 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.484 1.115 . . . . 0.0 111.011 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.954 HD12 ' HG2' ' A' ' 50' ' ' PRO . 6.4 mt -150.18 95.22 3.62 Favored Pre-proline 0 C--N 1.325 -0.492 0 O-C-N 124.433 0.726 . . . . 0.0 109.268 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.96 -162.73 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.459 1.768 . . . . 0.0 111.015 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.57 ' CE1' HG21 ' A' ' 46' ' ' VAL . 12.6 t80 -107.42 79.44 1.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.525 1.141 . . . . 0.0 110.986 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.42 ' O ' ' C ' ' A' ' 57' ' ' ARG . 24.1 mmt180 -130.38 165.88 21.63 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.563 1.165 . . . . 0.0 110.332 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.449 ' O ' HG22 ' A' ' 60' ' ' THR . 2.0 mtt180 -37.62 125.86 0.93 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 110.32 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.584 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.05 2.16 6.96 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.554 1.818 . . . . 0.0 110.954 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 98.2 p -94.73 8.59 42.0 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.54 1.15 . . . . 0.0 110.064 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.449 HG22 ' O ' ' A' ' 57' ' ' ARG . 2.2 t -127.96 2.44 5.94 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 110.415 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.584 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 7.3 m-85 -90.97 153.79 19.91 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.442 1.089 . . . . 0.0 111.008 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -72.78 163.83 54.83 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.445 1.091 . . . . 0.0 111.012 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.651 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 2.1 mp -57.36 -43.67 99.21 Favored Pre-proline 0 C--N 1.325 -0.464 0 O-C-N 124.562 0.801 . . . . 0.0 109.281 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.651 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.3 Cg_endo -74.97 -33.08 4.9 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.464 1.771 . . . . 0.0 110.961 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.674 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.2 OUTLIER -63.71 -39.44 94.32 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.468 1.105 . . . . 0.0 110.266 -179.952 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 76.9 mt -68.22 -49.64 59.43 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 109.245 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -44.02 -62.24 1.2 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.419 1.075 . . . . 0.0 110.279 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.448 ' HA ' HD12 ' A' ' 71' ' ' LEU . 9.0 mtt-85 -45.19 -53.02 8.71 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.521 1.138 . . . . 0.0 110.238 -179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.66 HD11 ' CG2' ' A' ' 53' ' ' ILE . 89.9 mt -49.91 -39.28 15.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.514 1.134 . . . . 0.0 109.351 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.648 HD11 ' HB2' ' A' ' 11' ' ' GLN . 65.0 mt -71.52 -33.05 68.84 Favored 'General case' 0 C--N 1.324 -0.537 0 O-C-N 124.521 1.138 . . . . 0.0 109.272 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.448 HD12 ' HA ' ' A' ' 68' ' ' ARG . 12.4 mt -79.31 -15.43 57.95 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.442 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -101.51 -5.19 25.52 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.411 1.07 . . . . 0.0 109.311 -179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.496 ' HB2' HD11 ' A' ' 15' ' ' LEU . 0.7 OUTLIER -45.67 -50.34 13.6 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.536 1.147 . . . . 0.0 109.299 179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -49.59 -22.45 1.29 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.533 1.146 . . . . 0.0 110.246 -179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.442 ' N ' ' O ' ' A' ' 72' ' ' ALA . 22.4 mmt180 -104.43 -38.81 6.67 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.464 1.102 . . . . 0.0 110.287 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.656 HD12 HD21 ' A' ' 15' ' ' LEU . 41.9 mt -39.44 145.51 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.575 1.172 . . . . 0.0 109.315 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.427 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 2.5 ttt180 -161.35 145.04 12.9 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.483 1.115 . . . . 0.0 110.286 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.492 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 4.4 m-85 -110.51 108.45 18.44 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.439 1.087 . . . . 0.0 111.001 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.568 HG11 ' OH ' ' A' ' 45' ' ' TYR . 21.5 t -87.98 105.94 15.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.524 1.14 . . . . 0.0 109.333 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.413 ' CG2' HD11 ' A' ' 86' ' ' LEU . 7.9 mm -98.35 61.51 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.582 1.176 . . . . 0.0 109.255 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.467 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 1.6 mttp -44.49 -56.74 4.05 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.473 1.108 . . . . 0.0 109.3 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.941 ' CB ' HD12 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -105.47 122.46 46.05 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.538 1.149 . . . . 0.0 109.303 -179.969 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 36.6 m-70 -88.04 -58.52 2.53 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.49 1.119 . . . . 0.0 109.641 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -43.07 -41.39 3.52 Favored 'General case' 0 C--N 1.326 -0.423 0 O-C-N 124.47 1.106 . . . . 0.0 110.383 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.941 HD12 ' CB ' ' A' ' 82' ' ' LYS . 13.9 mt -45.02 -41.92 7.9 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.488 1.117 . . . . 0.0 109.316 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.57 HD13 ' OH ' ' A' ' 20' ' ' TYR . 45.5 mt -56.21 -56.12 24.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 20.6 m-80 -77.38 100.57 6.0 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 59.6 p -173.73 100.87 0.11 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.566 1.166 . . . . 0.0 109.996 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER 179.54 -36.62 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.541 0 O-C-N 124.445 1.091 . . . . 0.0 110.485 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 58.63 98.48 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.551 1.157 . . . . 0.0 110.348 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 14.8 mt-10 -105.54 114.26 28.32 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.309 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -176.44 93.44 0.05 OUTLIER 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.516 1.135 . . . . 0.0 109.274 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -167.71 130.57 1.63 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.532 1.145 . . . . 0.0 109.316 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -79.52 133.59 36.49 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.107 . . . . 0.0 110.036 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 157.46 128.52 1.04 Allowed Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.479 1.112 . . . . 0.0 110.966 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.97 174.88 12.02 Favored 'Trans proline' 0 C--N 1.361 1.188 0 O-C-N 124.446 1.761 . . . . 0.0 110.998 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 81.0 p -148.29 147.55 29.45 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.012 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 84.0 p -165.5 167.28 17.65 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.499 1.124 . . . . 0.0 110.004 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.953 0 O-C-N 124.475 1.11 . . . . 0.0 111.018 -179.954 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.011 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 57.56 93.15 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.515 0.774 . . . . 0.0 110.027 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 85.2 p -146.35 145.11 30.19 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.586 1.179 . . . . 0.0 110.066 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 131.05 -164.34 23.32 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.5 1.125 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -163.73 162.3 23.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.546 0.792 . . . . 0.0 110.042 179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.89 -54.92 0.06 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.561 1.163 . . . . 0.0 110.044 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -109.57 161.64 12.98 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.492 1.12 . . . . 0.0 111.008 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.788 HD22 HD12 ' A' ' 70' ' ' LEU . 83.5 mt -45.33 -63.83 0.86 Allowed 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.453 0.737 . . . . 0.0 109.301 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.412 ' C ' ' O ' ' A' ' 8' ' ' LEU . 0.4 OUTLIER -37.96 -56.79 1.1 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.509 1.131 . . . . 0.0 110.307 -179.987 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -55.37 -48.93 73.53 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.485 1.116 . . . . 0.0 109.352 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.609 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.9 mt-30 -52.66 -47.86 66.86 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.347 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.504 HG11 ' HB3' ' A' ' 58' ' ' PRO . 54.6 t -69.6 -46.11 76.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.408 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 36.8 mt-10 -50.77 -52.78 37.47 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.418 1.074 . . . . 0.0 110.269 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -66.97 -34.39 77.66 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.484 1.115 . . . . 0.0 110.272 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.894 HD21 HD12 ' A' ' 76' ' ' ILE . 1.1 tp -66.27 -56.91 8.93 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.511 1.132 . . . . 0.0 109.317 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.7 m-30 -43.22 -55.99 3.69 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 1.115 . . . . 0.0 110.995 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.408 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 3.0 mt-10 -59.66 -49.4 77.9 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.496 1.123 . . . . 0.0 110.306 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 5.8 mmt-85 -43.86 -61.0 1.58 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.436 1.085 . . . . 0.0 110.209 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.568 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 38.7 mmtt -48.36 -59.13 3.69 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.531 1.144 . . . . 0.0 109.29 -179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.497 ' OH ' HD22 ' A' ' 86' ' ' LEU . 59.1 t80 -51.97 -53.76 37.7 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.532 1.145 . . . . 0.0 110.993 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.599 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -53.96 -39.57 66.07 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.472 1.107 . . . . 0.0 109.3 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -65.82 -38.45 88.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.532 1.145 . . . . 0.0 110.311 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -64.4 -12.82 46.89 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.545 1.153 . . . . 0.0 109.276 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 7.2 pt -126.11 3.69 4.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 109.301 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.467 ' N ' ' O ' ' A' ' 21' ' ' ALA . 0.1 OUTLIER 56.33 58.91 3.93 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.51 1.131 . . . . 0.0 109.274 179.922 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.599 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -108.57 120.93 43.88 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.488 1.118 . . . . 0.0 109.348 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -93.4 28.85 2.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.355 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -143.37 170.08 25.64 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.53 1.144 . . . . 0.0 110.986 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 117.81 5.03 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.519 1.799 . . . . 0.0 111.018 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 20.0 m -112.41 162.47 10.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.436 1.085 . . . . 0.0 109.379 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 99.9 m -103.58 143.86 32.19 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.513 1.133 . . . . 0.0 110.399 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 51.9 mt -99.22 118.22 62.84 Favored Pre-proline 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 109.284 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.456 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 18.1 Cg_endo -75.03 115.83 4.4 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.52 1.8 . . . . 0.0 110.959 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.747 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 24.9 m-85 -77.49 -33.77 1.09 Allowed Pre-proline 0 C--N 1.325 -0.475 0 O-C-N 124.527 1.142 . . . . 0.0 111.014 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.747 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.4 Cg_endo -75.02 -68.97 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.493 1.786 . . . . 0.0 110.971 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.456 ' HB2' ' HB2' ' A' ' 33' ' ' PRO . 77.5 mt -37.15 -45.53 0.63 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.574 1.171 . . . . 0.0 109.327 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.469 ' O ' HG13 ' A' ' 41' ' ' VAL . 9.5 m-85 -70.33 -44.0 69.13 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.419 1.075 . . . . 0.0 111.039 179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.474 ' N ' ' O ' ' A' ' 35' ' ' PRO . 20.1 tp60 -57.55 -50.15 74.05 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.503 1.127 . . . . 0.0 110.278 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.3 -22.59 61.92 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.515 1.134 . . . . 0.0 110.003 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -126.57 72.07 1.32 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.49 1.119 . . . . 0.0 109.666 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.469 HG13 ' O ' ' A' ' 37' ' ' PHE . 4.6 m -91.64 -6.78 10.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.559 1.162 . . . . 0.0 109.304 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 19.9 mt-10 -85.0 -29.03 25.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.491 1.119 . . . . 0.0 110.253 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.408 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 16.4 m-20 -107.39 -50.69 3.03 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.554 1.159 . . . . 0.0 109.317 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . . . . . . . . . 81.5 mt -94.83 117.06 29.51 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.255 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.496 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 12.0 p90 -165.16 150.47 9.42 Favored 'General case' 0 C--N 1.326 -0.439 0 O-C-N 124.506 1.129 . . . . 0.0 110.955 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.671 HG21 ' CE1' ' A' ' 55' ' ' PHE . 6.1 t -93.84 151.06 3.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 O-C-N 124.452 1.095 . . . . 0.0 109.26 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 3.1 mt-10 -135.21 178.93 6.65 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 110.377 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.74 2.37 69.81 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.492 1.12 . . . . 0.0 111.028 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . . . . . . . . . 61.2 mt -71.33 153.99 93.82 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.453 0.737 . . . . 0.0 109.322 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.936 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -74.95 -177.4 3.43 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.489 1.784 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -82.32 139.24 34.25 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.505 1.128 . . . . 0.0 110.293 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.41 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 70.08 29.3 70.68 Favored Glycine 0 CA--C 1.53 1.012 0 O-C-N 124.561 1.163 . . . . 0.0 111.001 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.936 HD12 ' HG2' ' A' ' 50' ' ' PRO . 7.9 mt -150.48 95.18 3.56 Favored Pre-proline 0 C--N 1.325 -0.465 0 O-C-N 124.458 0.74 . . . . 0.0 109.34 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 -162.82 0.16 Allowed 'Trans proline' 0 C--N 1.36 1.159 0 O-C-N 124.495 1.787 . . . . 0.0 110.995 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.671 ' CE1' HG21 ' A' ' 46' ' ' VAL . 13.6 t80 -107.17 87.29 2.47 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.54 1.15 . . . . 0.0 111.013 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.438 ' N ' ' OH ' ' A' ' 61' ' ' TYR . 26.0 mmt180 -138.31 166.01 25.29 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 110.277 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.436 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.2 OUTLIER -36.55 126.76 0.73 Allowed Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.479 1.112 . . . . 0.0 110.286 -179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.514 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.05 0.69 8.62 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.5 1.789 . . . . 0.0 110.948 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . . . . . . . . . 1.9 t -97.23 8.38 44.67 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.533 1.146 . . . . 0.0 109.991 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.447 HG23 ' O ' ' A' ' 60' ' ' THR . 0.5 OUTLIER -125.75 3.91 7.45 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.507 1.129 . . . . 0.0 110.407 179.979 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.672 ' HB2' HD21 ' A' ' 66' ' ' LEU . 6.9 m-85 -93.23 159.28 15.35 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.49 1.119 . . . . 0.0 110.997 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.9 163.71 52.59 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.42 1.075 . . . . 0.0 110.992 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.649 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.9 mp -57.6 -43.89 99.15 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.55 0.794 . . . . 0.0 109.304 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.649 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.04 -33.5 4.5 Favored 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.496 1.787 . . . . 0.0 111.008 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.605 ' HD3' HG23 ' A' ' 53' ' ' ILE . 1.1 mtt180 -63.73 -40.33 96.47 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.487 1.117 . . . . 0.0 110.275 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.672 HD21 ' HB2' ' A' ' 61' ' ' TYR . 80.9 mt -66.28 -53.27 38.75 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.512 1.132 . . . . 0.0 109.266 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.408 ' HG2' HD21 ' A' ' 8' ' ' LEU . 1.2 mt-10 -40.2 -59.87 1.18 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.548 1.155 . . . . 0.0 110.342 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.464 ' HD3' HD11 ' A' ' 53' ' ' ILE . 0.6 OUTLIER -47.85 -52.77 17.84 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 179.964 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.49 ' O ' HD11 ' A' ' 76' ' ' ILE . 94.2 mt -48.86 -35.0 6.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.54 1.15 . . . . 0.0 109.276 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.788 HD12 HD22 ' A' ' 8' ' ' LEU . 75.6 mt -78.43 -30.45 47.62 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 109.28 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.442 ' N ' ' O ' ' A' ' 68' ' ' ARG . 71.6 mt -78.48 -19.27 53.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 109.252 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.404 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . -99.5 -0.85 39.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.517 1.135 . . . . 0.0 109.309 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.489 ' HB2' HD11 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -49.29 -39.57 31.38 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.473 1.108 . . . . 0.0 109.317 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 16.5 mt-10 -59.67 -14.73 15.12 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.56 1.162 . . . . 0.0 110.263 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 76' ' ' ILE . 0.4 OUTLIER -115.12 -36.31 4.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.465 1.103 . . . . 0.0 110.22 -179.933 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.894 HD12 HD21 ' A' ' 15' ' ' LEU . 16.1 mt -39.0 142.84 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.474 1.109 . . . . 0.0 109.263 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.42 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 12.3 ttt180 -162.62 144.34 10.42 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.544 1.153 . . . . 0.0 110.248 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.568 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 5.8 m-85 -110.22 106.42 15.83 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 110.983 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.608 ' O ' HD13 ' A' ' 80' ' ' ILE . 25.5 t -83.84 140.19 16.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.526 1.141 . . . . 0.0 109.296 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.608 HD13 ' O ' ' A' ' 79' ' ' VAL . 3.5 mm -128.31 74.58 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 O-C-N 124.559 1.162 . . . . 0.0 109.277 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.439 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -58.12 -51.25 70.49 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.501 1.126 . . . . 0.0 109.255 -179.998 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.66 ' CB ' HD12 ' A' ' 85' ' ' LEU . 1.1 mttt -107.76 117.99 35.56 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 12.1 m-70 -88.56 -53.39 4.67 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.498 1.124 . . . . 0.0 109.571 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 9.2 pt-20 -40.98 -41.81 1.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.385 1.053 . . . . 0.0 110.331 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.66 HD12 ' CB ' ' A' ' 82' ' ' LYS . 37.4 mt -44.09 -42.96 6.58 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.417 1.073 . . . . 0.0 109.24 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.497 HD22 ' OH ' ' A' ' 20' ' ' TYR . 91.6 mt -62.65 -69.36 0.26 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.414 1.071 . . . . 0.0 109.3 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 5.8 t-20 71.43 -61.28 0.49 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.575 1.172 . . . . 0.0 109.355 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -88.04 159.01 18.44 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.576 1.173 . . . . 0.0 109.927 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.569 ' O ' HG23 ' A' ' 89' ' ' THR . 9.9 t -160.24 61.97 0.34 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.4 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.2 mmt180 -41.2 129.79 2.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.414 1.071 . . . . 0.0 110.295 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -120.57 65.53 0.84 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.424 1.077 . . . . 0.0 110.314 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -173.54 125.28 0.39 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.414 1.071 . . . . 0.0 109.259 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -107.52 106.1 16.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.412 1.07 . . . . 0.0 109.346 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 95.4 p 43.44 81.57 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.486 1.116 . . . . 0.0 110.07 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -152.53 123.11 1.4 Allowed Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.484 1.115 . . . . 0.0 110.988 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -46.0 0.25 Allowed 'Trans proline' 0 C--N 1.359 1.124 0 O-C-N 124.475 1.776 . . . . 0.0 110.953 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 61.78 133.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.528 1.142 . . . . 0.0 110.013 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -68.85 -58.2 4.49 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.127 . . . . 0.0 110.029 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.974 0 O-C-N 124.415 1.072 . . . . 0.0 111.021 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.932 0 N-CA-C 111.045 -0.822 . . . . 0.0 111.045 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 m -159.82 -57.87 0.06 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.433 0.725 . . . . 0.0 110.009 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -176.82 137.15 0.24 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.504 1.127 . . . . 0.0 110.026 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.96 -153.06 10.38 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.408 1.068 . . . . 0.0 110.961 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -168.2 -60.34 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.529 0.782 . . . . 0.0 110.014 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.0 p -147.1 153.93 40.53 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.452 1.095 . . . . 0.0 110.002 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.47 91.84 0.6 Allowed Glycine 0 CA--C 1.529 0.931 0 O-C-N 124.436 1.085 . . . . 0.0 110.997 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.706 HD22 HD12 ' A' ' 70' ' ' LEU . 64.4 mt -40.37 -61.85 0.85 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.444 0.732 . . . . 0.0 109.266 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.49 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 0.0 OUTLIER -43.93 -54.22 5.53 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.458 1.099 . . . . 0.0 110.297 179.952 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.58 -45.55 81.29 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.505 1.128 . . . . 0.0 109.229 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.527 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.0 mt-30 -55.37 -52.1 64.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.502 1.126 . . . . 0.0 110.302 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.47 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 50.2 t -66.4 -45.05 90.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.539 1.149 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.4 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 40.5 mt-10 -49.84 -52.15 34.66 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.467 1.104 . . . . 0.0 110.29 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -68.33 -40.6 81.56 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.458 1.099 . . . . 0.0 110.296 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.769 HD21 HD12 ' A' ' 76' ' ' ILE . 1.1 tp -59.86 -56.54 20.5 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.572 1.17 . . . . 0.0 109.247 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.466 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.0 m-30 -42.37 -57.12 2.72 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.448 1.092 . . . . 0.0 111.047 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.4 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 2.9 mt-10 -58.58 -51.14 71.16 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.564 1.165 . . . . 0.0 110.316 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.44 -61.78 0.99 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.504 1.127 . . . . 0.0 110.317 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.533 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 29.8 mmtt -48.26 -54.52 13.35 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.487 1.117 . . . . 0.0 109.329 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 1.0 ' OH ' HD13 ' A' ' 86' ' ' LEU . 39.3 t80 -55.75 -51.27 67.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.49 1.119 . . . . 0.0 110.957 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.457 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -57.82 -42.66 84.78 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.501 1.126 . . . . 0.0 109.382 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 6.5 mm100 -60.81 -40.05 91.24 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.576 1.173 . . . . 0.0 110.296 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -60.56 -37.72 82.18 Favored 'General case' 0 C--N 1.324 -0.531 0 O-C-N 124.541 1.151 . . . . 0.0 109.315 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.733 HG22 ' CE1' ' A' ' 83' ' ' HIS . 7.2 pt -99.55 7.76 8.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.502 1.126 . . . . 0.0 109.368 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.457 ' N ' ' O ' ' A' ' 21' ' ' ALA . 4.0 mmtt 51.52 60.18 4.05 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.507 1.129 . . . . 0.0 109.286 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.427 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -111.3 126.49 54.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.338 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -95.44 27.57 3.31 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.523 1.139 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -141.32 170.0 24.84 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.561 1.163 . . . . 0.0 111.071 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.91 117.24 4.85 Favored 'Trans proline' 0 C--N 1.36 1.146 0 O-C-N 124.472 1.775 . . . . 0.0 111.075 179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.419 HG22 ' HB2' ' A' ' 21' ' ' ALA . 7.9 m -110.11 163.66 6.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.568 1.167 . . . . 0.0 109.356 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 92.4 m -103.33 144.08 31.82 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.516 1.135 . . . . 0.0 110.423 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.466 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 48.5 mt -97.1 115.62 65.78 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.575 1.172 . . . . 0.0 109.247 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.442 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.3 Cg_endo -74.97 113.06 3.71 Favored 'Trans proline' 0 C--N 1.361 1.203 0 O-C-N 124.479 1.778 . . . . 0.0 111.005 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.759 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 22.4 m-85 -77.73 -33.3 1.0 Allowed Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.529 1.143 . . . . 0.0 111.051 179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.759 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.2 Cg_endo -74.94 -69.88 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.533 1.807 . . . . 0.0 111.031 179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.445 ' C ' ' O ' ' A' ' 35' ' ' PRO . 55.7 mt -36.77 -49.48 0.79 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.485 1.116 . . . . 0.0 109.38 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.442 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 6.4 m-85 -61.2 -47.24 87.04 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.587 1.179 . . . . 0.0 110.951 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.457 ' N ' ' O ' ' A' ' 35' ' ' PRO . 1.9 mm-40 -60.35 -32.08 70.93 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.536 1.148 . . . . 0.0 110.236 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -74.67 -36.02 62.81 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.527 1.142 . . . . 0.0 109.983 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.741 ' CD2' HD13 ' A' ' 85' ' ' LEU . 59.4 m-70 -124.17 66.77 1.05 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.471 1.107 . . . . 0.0 109.6 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.4 m -76.15 -8.49 11.67 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.537 0 O-C-N 124.461 1.101 . . . . 0.0 109.267 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 3.0 mt-10 -86.92 -23.13 25.26 Favored 'General case' 0 C--N 1.324 -0.533 0 O-C-N 124.586 1.179 . . . . 0.0 110.2 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.481 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 18.8 m-20 -113.14 -56.37 2.42 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 109.238 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.629 HD13 HD21 ' A' ' 86' ' ' LEU . 40.1 mt -90.85 112.57 24.45 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.52 1.138 . . . . 0.0 109.253 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.691 ' OH ' HG11 ' A' ' 79' ' ' VAL . 46.0 p90 -164.19 162.53 22.76 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.473 1.108 . . . . 0.0 110.981 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.614 HG21 ' CE1' ' A' ' 55' ' ' PHE . 6.4 t -103.46 147.44 9.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.564 1.165 . . . . 0.0 109.298 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.404 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 7.7 mt-10 -134.39 -179.68 5.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.52 1.138 . . . . 0.0 110.286 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.69 1.94 68.18 Favored Glycine 0 CA--C 1.528 0.895 0 O-C-N 124.476 1.11 . . . . 0.0 111.02 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.484 HD13 ' O ' ' A' ' 54' ' ' PRO . 50.2 mt -68.98 153.56 95.97 Favored Pre-proline 0 C--N 1.324 -0.507 0 O-C-N 124.439 0.729 . . . . 0.0 109.255 -179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.906 ' HG2' HD12 ' A' ' 53' ' ' ILE . 17.9 Cg_endo -75.08 178.49 7.21 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.466 1.771 . . . . 0.0 110.913 -179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.2 mt-10 -78.21 138.0 38.43 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.567 1.167 . . . . 0.0 110.285 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.4 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 70.13 30.05 70.03 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.554 1.159 . . . . 0.0 111.01 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.906 HD12 ' HG2' ' A' ' 50' ' ' PRO . 11.2 mt -150.43 96.43 3.43 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.521 0.777 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.484 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.03 -162.12 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.457 1.767 . . . . 0.0 110.973 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.614 ' CE1' HG21 ' A' ' 46' ' ' VAL . 8.7 t80 -109.54 86.96 2.39 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.439 ' O ' ' C ' ' A' ' 57' ' ' ARG . 21.4 mmt85 -137.75 165.9 25.29 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.511 1.132 . . . . 0.0 110.349 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.3 OUTLIER -36.0 126.18 0.67 Allowed Pre-proline 0 C--N 1.324 -0.534 0 O-C-N 124.554 1.159 . . . . 0.0 110.31 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.492 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -75.04 1.42 7.78 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.558 1.82 . . . . 0.0 110.972 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.49 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 27.4 p -96.91 6.1 49.27 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.5 1.125 . . . . 0.0 110.042 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -123.0 -3.56 8.58 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.473 1.108 . . . . 0.0 110.358 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.676 ' HB2' HD21 ' A' ' 66' ' ' LEU . 5.6 m-85 -84.71 157.16 21.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.544 1.153 . . . . 0.0 111.02 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -76.45 163.76 53.03 Favored Glycine 0 CA--C 1.531 1.036 0 O-C-N 124.545 1.153 . . . . 0.0 111.006 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.65 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 13.3 mt -57.64 -43.84 99.09 Favored Pre-proline 0 C--N 1.324 -0.509 0 O-C-N 124.533 0.784 . . . . 0.0 109.27 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.2 Cg_endo -75.02 -32.13 5.61 Favored 'Trans proline' 0 C--N 1.361 1.205 0 O-C-N 124.459 1.768 . . . . 0.0 110.968 -179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.56 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.9 OUTLIER -65.31 -42.92 92.53 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.469 1.105 . . . . 0.0 110.339 179.993 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.676 HD21 ' HB2' ' A' ' 61' ' ' TYR . 92.4 mt -64.17 -52.03 60.94 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.506 1.129 . . . . 0.0 109.306 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -40.02 -58.8 1.35 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.466 ' HD3' HD11 ' A' ' 53' ' ' ILE . 5.0 mtp180 -49.88 -51.16 42.58 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.52 1.138 . . . . 0.0 110.311 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.492 ' O ' HD11 ' A' ' 76' ' ' ILE . 87.4 mt -50.89 -32.22 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.493 1.121 . . . . 0.0 109.273 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.706 HD12 HD22 ' A' ' 8' ' ' LEU . 84.4 mt -80.87 -29.69 35.69 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.468 1.105 . . . . 0.0 109.312 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 68.7 mt -80.99 -20.77 41.11 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.468 1.105 . . . . 0.0 109.302 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.433 ' N ' ' O ' ' A' ' 68' ' ' ARG . . . -97.32 -2.71 41.93 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.443 1.09 . . . . 0.0 109.297 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.468 ' HB2' HD11 ' A' ' 15' ' ' LEU . 0.3 OUTLIER -47.17 -43.99 21.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.459 1.099 . . . . 0.0 109.331 179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -54.89 -21.08 10.34 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 110.328 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.42 ' N ' ' O ' ' A' ' 72' ' ' ALA . 6.4 mtt-85 -107.09 -37.23 6.36 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.472 1.107 . . . . 0.0 110.309 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.769 HD12 HD21 ' A' ' 15' ' ' LEU . 19.9 mt -38.9 142.78 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.454 1.097 . . . . 0.0 109.254 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 10.3 ttt180 -162.52 145.26 11.08 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.551 1.157 . . . . 0.0 110.329 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.533 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 7.7 m-85 -109.65 107.33 17.34 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.461 1.1 . . . . 0.0 110.97 179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.691 HG11 ' OH ' ' A' ' 45' ' ' TYR . 35.7 t -85.21 110.03 18.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.526 1.141 . . . . 0.0 109.324 179.947 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 9.2 mm -100.55 60.19 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.436 0 O-C-N 124.483 1.114 . . . . 0.0 109.315 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.481 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 3.0 mtmt -44.59 -57.13 3.82 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 109.254 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.515 ' O ' HD21 ' A' ' 44' ' ' LEU . 7.6 mttm -101.15 106.13 17.34 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.489 1.118 . . . . 0.0 109.346 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.733 ' CE1' HG22 ' A' ' 24' ' ' ILE . 0.4 OUTLIER -85.01 -40.86 16.37 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.51 1.131 . . . . 0.0 109.564 -179.973 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 16.7 pt-20 -51.19 -28.18 10.63 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.342 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.741 HD13 ' CD2' ' A' ' 40' ' ' HIS . 15.0 mt -66.01 -28.41 68.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.139 . . . . 0.0 109.247 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 1.0 HD13 ' OH ' ' A' ' 20' ' ' TYR . 6.2 mt -102.17 53.21 0.8 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.467 1.104 . . . . 0.0 109.32 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 3.4 t-20 -78.69 96.53 5.57 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.535 1.147 . . . . 0.0 109.301 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.8 t -165.15 102.71 0.75 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.544 1.153 . . . . 0.0 109.942 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 8.8 t -113.05 -45.8 3.15 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.549 1.155 . . . . 0.0 110.341 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 46.12 84.52 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.462 1.102 . . . . 0.0 110.278 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 9.8 pt-20 -96.42 140.1 31.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.576 1.173 . . . . 0.0 110.215 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 3.0 t0 -177.62 134.38 0.17 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.488 1.118 . . . . 0.0 109.299 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 1.5 tp -147.55 115.33 6.42 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.412 1.07 . . . . 0.0 109.317 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.5 m -113.68 149.15 35.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.586 1.179 . . . . 0.0 110.062 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -164.76 97.27 0.14 Allowed Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.486 1.117 . . . . 0.0 111.002 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 109.64 2.97 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.473 1.775 . . . . 0.0 110.976 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 11.9 t -161.66 81.6 0.59 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.492 1.12 . . . . 0.0 110.002 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.2 t 59.0 162.71 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.54 0 O-C-N 124.534 1.146 . . . . 0.0 109.96 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.548 1.155 . . . . 0.0 111.017 -179.988 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.018 0 N-CA-C 111.048 -0.821 . . . . 0.0 111.048 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.1 p -58.54 -52.66 64.73 Favored 'General case' 0 C--N 1.323 -0.55 0 O-C-N 124.504 0.767 . . . . 0.0 109.921 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 66.75 -80.86 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.553 1.158 . . . . 0.0 110.07 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.81 179.77 22.71 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.524 1.14 . . . . 0.0 111.017 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.3 t -152.98 -60.14 0.14 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.493 0.761 . . . . 0.0 110.009 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.3 m -99.01 154.67 17.91 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.523 1.14 . . . . 0.0 110.031 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 113.51 123.57 4.01 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.488 1.117 . . . . 0.0 110.977 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.754 HD22 HD12 ' A' ' 70' ' ' LEU . 32.2 mt -44.95 -56.37 4.66 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.529 0.782 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.478 ' HD3' ' CB ' ' A' ' 59' ' ' SER . 3.5 ttm180 -37.35 -56.81 0.95 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.479 1.112 . . . . 0.0 110.31 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.479 ' CD ' ' HG3' ' A' ' 14' ' ' GLU . 0.0 OUTLIER -54.14 -62.0 1.94 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.286 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.504 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.5 mt-30 -38.52 -41.1 0.64 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.528 1.142 . . . . 0.0 110.33 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.455 HG11 ' HB3' ' A' ' 58' ' ' PRO . 55.3 t -76.7 -44.95 33.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.297 179.964 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.448 ' N ' ' O ' ' A' ' 10' ' ' LYS . 44.6 mt-10 -53.15 -48.83 67.63 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.453 1.095 . . . . 0.0 110.276 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . 0.479 ' HG3' ' CD ' ' A' ' 10' ' ' LYS . 4.9 mm-40 -68.14 -40.54 82.42 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.554 1.159 . . . . 0.0 110.285 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.644 HD21 HD12 ' A' ' 76' ' ' ILE . 2.3 tp -61.88 -51.86 66.46 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 1.145 . . . . 0.0 109.311 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.477 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.6 m-30 -46.28 -54.48 8.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.504 1.127 . . . . 0.0 111.013 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.405 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 3.0 mt-10 -59.44 -49.11 79.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.584 1.178 . . . . 0.0 110.308 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 2.8 mmt85 -42.3 -63.91 0.68 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.515 1.135 . . . . 0.0 110.297 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.565 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 40.4 mmtt -43.85 -61.81 1.32 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.332 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . . . . . . . . . 58.7 t80 -51.96 -53.59 39.61 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.495 1.122 . . . . 0.0 111.01 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -52.98 -38.71 62.44 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 109.272 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -67.87 -38.8 83.54 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.478 1.111 . . . . 0.0 110.269 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -63.93 -16.46 61.53 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.458 1.098 . . . . 0.0 109.253 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.8 pt -121.71 2.48 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.265 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.471 ' N ' ' O ' ' A' ' 21' ' ' ALA . 4.0 mmmt 55.67 63.11 2.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.469 1.105 . . . . 0.0 109.259 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.45 ' N ' ' O ' ' A' ' 21' ' ' ALA . . . -114.33 124.37 51.82 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.121 . . . . 0.0 109.301 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 22.2 mttt -94.75 27.07 3.22 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.116 . . . . 0.0 109.325 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -141.03 170.11 24.69 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.491 1.119 . . . . 0.0 110.974 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 117.01 4.76 Favored 'Trans proline' 0 C--N 1.36 1.166 0 O-C-N 124.432 1.753 . . . . 0.0 111.022 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 17.3 m -111.18 165.76 6.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.334 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 58.5 m -103.57 141.7 35.56 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.486 1.116 . . . . 0.0 110.374 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.477 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 24.0 mt -97.76 123.71 50.79 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.524 1.14 . . . . 0.0 109.294 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.448 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 18.4 Cg_endo -75.01 105.74 2.14 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.524 1.802 . . . . 0.0 111.009 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.708 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 11.3 m-85 -80.5 -37.26 1.0 Allowed Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.55 1.156 . . . . 0.0 111.038 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.708 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.6 Cg_endo -74.96 -68.05 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.202 0 O-C-N 124.435 1.755 . . . . 0.0 111.032 179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.448 ' HB2' ' HB2' ' A' ' 33' ' ' PRO . 35.4 mt -36.49 -53.81 0.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 109.312 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.405 ' CD1' ' O ' ' A' ' 33' ' ' PRO . 2.0 m-85 -50.57 -49.82 55.23 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 111.017 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.424 ' N ' ' O ' ' A' ' 35' ' ' PRO . 0.3 OUTLIER -53.87 -36.9 63.14 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.099 . . . . 0.0 110.381 179.895 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -77.36 -26.88 52.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 110.044 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.443 ' NE2' HD22 ' A' ' 85' ' ' LEU . 61.9 m-70 -128.16 66.54 1.37 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.484 1.115 . . . . 0.0 109.587 179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 15.4 m -81.05 -9.52 11.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.509 1.131 . . . . 0.0 109.352 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 15.8 mt-10 -85.96 -20.34 29.08 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.315 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.459 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 0.6 OUTLIER -116.06 -50.58 2.66 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.414 1.071 . . . . 0.0 109.278 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.402 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 75.2 mt -96.49 119.4 34.89 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.53 1.144 . . . . 0.0 109.31 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.46 ' CE2' ' HG3' ' A' ' 81' ' ' LYS . 14.2 p90 -169.75 151.91 4.39 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.486 1.116 . . . . 0.0 111.003 -179.928 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.724 HG21 ' CE1' ' A' ' 55' ' ' PHE . 27.1 t -96.42 151.24 4.11 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.501 1.125 . . . . 0.0 109.313 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.432 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 13.4 mt-10 -136.71 175.5 9.55 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.511 1.132 . . . . 0.0 110.323 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.49 1.81 83.11 Favored Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.513 1.133 . . . . 0.0 110.965 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.497 HD13 ' O ' ' A' ' 54' ' ' PRO . 53.0 mt -70.41 152.58 95.46 Favored Pre-proline 0 C--N 1.324 -0.517 0 O-C-N 124.545 0.791 . . . . 0.0 109.289 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.941 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.0 Cg_endo -75.14 171.52 18.15 Favored 'Trans proline' 0 C--N 1.359 1.108 0 O-C-N 124.454 1.765 . . . . 0.0 110.967 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 9.8 tt0 -71.77 141.42 49.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.319 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.409 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 68.05 29.24 73.35 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.519 1.137 . . . . 0.0 110.973 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.941 HD12 ' HG2' ' A' ' 50' ' ' PRO . 9.4 mt -150.69 97.35 3.28 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.412 0.713 . . . . 0.0 109.319 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.497 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.99 -162.25 0.15 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.572 1.828 . . . . 0.0 110.982 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.724 ' CE1' HG21 ' A' ' 46' ' ' VAL . 9.3 t80 -109.59 78.63 1.14 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 111.006 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.419 ' O ' ' C ' ' A' ' 57' ' ' ARG . 17.7 mmt85 -129.63 165.33 22.0 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 110.207 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.473 ' HB3' HG23 ' A' ' 60' ' ' THR . 4.0 mtt180 -37.57 126.64 0.91 Allowed Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.491 1.12 . . . . 0.0 110.262 179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.576 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.02 2.34 6.74 Favored 'Trans proline' 0 C--N 1.359 1.119 0 O-C-N 124.517 1.798 . . . . 0.0 110.96 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.478 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 1.8 p -92.8 2.3 56.83 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.517 1.135 . . . . 0.0 109.992 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.473 HG23 ' HB3' ' A' ' 57' ' ' ARG . 1.7 p -119.97 -9.04 9.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 1.131 . . . . 0.0 110.429 179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.576 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 6.9 m-30 -78.69 153.57 30.82 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 111.023 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.39 164.07 54.85 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.558 1.162 . . . . 0.0 111.025 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.65 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 1.4 mp -56.98 -43.73 99.52 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.464 0.744 . . . . 0.0 109.309 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.65 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -74.99 -33.2 4.78 Favored 'Trans proline' 0 C--N 1.36 1.15 0 O-C-N 124.49 1.784 . . . . 0.0 110.97 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.563 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.4 OUTLIER -63.8 -40.72 97.33 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.444 1.09 . . . . 0.0 110.307 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 75.5 mt -66.37 -51.4 57.5 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.624 1.202 . . . . 0.0 109.318 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 mt-10 -42.29 -59.15 1.91 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.44 1.087 . . . . 0.0 110.376 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.448 ' O ' ' N ' ' A' ' 72' ' ' ALA . 4.8 mtp180 -48.42 -52.9 19.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.517 1.135 . . . . 0.0 110.287 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.531 HG23 HD11 ' A' ' 76' ' ' ILE . 89.4 mt -49.52 -39.62 14.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.452 1.095 . . . . 0.0 109.313 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.754 HD12 HD22 ' A' ' 8' ' ' LEU . 83.6 mt -72.88 -27.47 61.92 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.465 1.103 . . . . 0.0 109.283 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.44 ' N ' ' O ' ' A' ' 68' ' ' ARG . 61.0 mt -81.89 -25.07 35.31 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.46 1.1 . . . . 0.0 109.305 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.489 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -94.14 -3.42 51.03 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.4 1.063 . . . . 0.0 109.309 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.475 ' HB2' HD11 ' A' ' 15' ' ' LEU . 0.4 OUTLIER -46.45 -39.07 10.01 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.47 1.106 . . . . 0.0 109.341 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.2 mt-10 -57.93 -28.17 64.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.526 1.141 . . . . 0.0 110.378 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.489 ' N ' ' O ' ' A' ' 72' ' ' ALA . 4.6 mtt180 -99.99 -37.19 9.1 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.522 1.139 . . . . 0.0 110.298 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.644 HD12 HD21 ' A' ' 15' ' ' LEU . 29.3 mt -38.82 143.92 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.537 1.148 . . . . 0.0 109.256 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 12.4 ttt180 -161.09 145.23 13.44 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 110.326 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.565 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 4.9 m-85 -109.83 107.81 17.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.455 1.097 . . . . 0.0 111.009 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.51 ' O ' HD13 ' A' ' 80' ' ' ILE . 19.7 t -88.11 133.03 31.69 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.088 . . . . 0.0 109.304 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.51 HD13 ' O ' ' A' ' 79' ' ' VAL . 3.0 mm -125.23 72.9 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.321 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.46 ' HG3' ' CE2' ' A' ' 45' ' ' TYR . 0.0 OUTLIER -55.73 -49.46 73.0 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.511 1.132 . . . . 0.0 109.399 179.934 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.905 ' CB ' HD12 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -108.96 122.23 46.79 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.446 1.091 . . . . 0.0 109.29 179.982 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 31.4 m-70 -87.61 -61.09 1.8 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.396 1.06 . . . . 0.0 109.61 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -42.72 -41.44 3.16 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.555 1.16 . . . . 0.0 110.327 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.905 HD12 ' CB ' ' A' ' 82' ' ' LYS . 16.7 mt -45.39 -39.74 7.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.415 1.072 . . . . 0.0 109.253 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.497 HD11 HG21 ' A' ' 80' ' ' ILE . 83.6 mt -53.11 -62.33 1.72 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.524 1.14 . . . . 0.0 109.341 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.562 ' O ' HG22 ' A' ' 89' ' ' THR . 48.4 m-20 -57.32 -60.91 2.93 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.509 1.13 . . . . 0.0 109.3 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.1 t -45.1 144.98 1.12 Allowed 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.541 1.15 . . . . 0.0 109.971 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.562 HG22 ' O ' ' A' ' 87' ' ' ASN . 0.3 OUTLIER -179.96 -36.8 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.453 1.096 . . . . 0.0 110.451 -179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER 66.86 112.36 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 110.283 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.427 ' OE2' HD23 ' A' ' 93' ' ' LEU . 0.9 OUTLIER -148.55 90.21 1.77 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 110.326 179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -51.97 136.24 29.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.505 1.128 . . . . 0.0 109.373 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.427 HD23 ' OE2' ' A' ' 91' ' ' GLU . 0.2 OUTLIER -134.78 108.68 8.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.542 1.151 . . . . 0.0 109.249 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 15.8 p -150.18 151.22 32.75 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.422 1.076 . . . . 0.0 110.056 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 97.23 176.41 34.59 Favored Glycine 0 CA--C 1.53 1.03 0 O-C-N 124.518 1.136 . . . . 0.0 111.001 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -50.97 0.12 Allowed 'Trans proline' 0 C--N 1.359 1.128 0 O-C-N 124.498 1.788 . . . . 0.0 111.028 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 58.8 m 61.47 122.27 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.55 1.156 . . . . 0.0 110.034 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 60.0 p -82.32 -58.39 2.96 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.54 1.15 . . . . 0.0 109.962 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.971 0 O-C-N 124.56 1.163 . . . . 0.0 110.967 -180.0 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.048 0 N-CA-C 110.995 -0.842 . . . . 0.0 110.995 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 57.5 p -170.71 146.02 2.57 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 0.798 . . . . 0.0 109.984 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -134.85 -59.97 0.79 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.464 1.103 . . . . 0.0 109.948 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -153.31 150.41 22.13 Favored Glycine 0 CA--C 1.529 0.922 0 O-C-N 124.527 1.142 . . . . 0.0 110.992 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.8 p -161.94 161.17 28.58 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.451 0.736 . . . . 0.0 109.976 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.84 163.33 9.69 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.471 1.107 . . . . 0.0 109.981 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 135.96 123.05 2.25 Favored Glycine 0 CA--C 1.531 1.055 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.451 HD22 HD12 ' A' ' 70' ' ' LEU . 81.8 mt -40.61 -63.69 0.61 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.538 0.787 . . . . 0.0 109.294 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.465 ' HD3' ' CB ' ' A' ' 59' ' ' SER . 1.1 ttm180 -41.22 -46.68 3.19 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.595 1.185 . . . . 0.0 110.398 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -63.96 -47.64 79.64 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.452 1.095 . . . . 0.0 109.338 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.916 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.6 mt-30 -52.25 -43.38 64.33 Favored 'General case' 0 C--N 1.326 -0.438 0 O-C-N 124.522 1.139 . . . . 0.0 110.291 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.501 HG11 ' HB3' ' A' ' 58' ' ' PRO . 48.8 t -75.38 -45.83 39.44 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.535 1.147 . . . . 0.0 109.266 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.406 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 33.6 mt-10 -51.44 -45.88 62.82 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.546 1.154 . . . . 0.0 110.26 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 5.8 mm-40 -70.71 -34.73 72.24 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.381 1.051 . . . . 0.0 110.276 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.823 HD21 HD12 ' A' ' 76' ' ' ILE . 1.1 tp -68.94 -60.08 2.62 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.524 1.14 . . . . 0.0 109.28 -179.944 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.477 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.7 m-30 -39.04 -52.57 1.83 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.521 1.138 . . . . 0.0 110.986 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.406 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 5.5 mt-10 -63.35 -49.16 74.97 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.583 1.177 . . . . 0.0 110.315 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 14.3 mtt180 -44.18 -62.63 1.08 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.485 1.116 . . . . 0.0 110.267 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.564 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 36.6 mmtt -46.47 -58.53 3.68 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.145 . . . . 0.0 109.261 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.681 ' OH ' HD22 ' A' ' 86' ' ' LEU . 34.0 t80 -52.8 -51.84 59.18 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.56 1.162 . . . . 0.0 110.97 -179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -57.38 -42.92 83.06 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.544 1.152 . . . . 0.0 109.302 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 11.9 mm-40 -60.14 -42.62 95.26 Favored 'General case' 0 C--N 1.327 -0.409 0 O-C-N 124.428 1.08 . . . . 0.0 110.348 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -59.21 -35.81 74.27 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.525 1.141 . . . . 0.0 109.237 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.719 HG22 ' CE1' ' A' ' 83' ' ' HIS . 7.5 pt -103.49 13.4 7.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.54 1.15 . . . . 0.0 109.281 -179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.451 ' N ' ' O ' ' A' ' 21' ' ' ALA . 1.4 mmpt? 44.59 62.74 1.93 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.451 1.094 . . . . 0.0 109.298 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.414 ' HB2' HG13 ' A' ' 24' ' ' ILE . . . -114.76 122.4 46.28 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.482 1.114 . . . . 0.0 109.313 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -92.88 28.55 2.05 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -139.91 170.5 24.25 Favored Glycine 0 CA--C 1.529 0.929 0 O-C-N 124.5 1.125 . . . . 0.0 111.017 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.6 Cg_endo -74.9 116.67 4.66 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.446 1.761 . . . . 0.0 110.99 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.457 HG11 HD11 ' A' ' 24' ' ' ILE . 5.3 m -110.81 163.37 7.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.471 1.107 . . . . 0.0 109.326 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 59.2 m -103.37 141.81 35.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.478 1.111 . . . . 0.0 110.33 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.477 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 64.9 mt -99.22 117.2 64.44 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.534 1.147 . . . . 0.0 109.313 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.454 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 18.1 Cg_endo -75.02 111.26 3.28 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.563 1.823 . . . . 0.0 111.041 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.731 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 12.3 m-85 -79.6 -36.39 1.06 Allowed Pre-proline 0 C--N 1.325 -0.497 0 O-C-N 124.482 1.114 . . . . 0.0 111.037 -179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.731 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -75.04 -70.26 0.02 OUTLIER 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.404 1.739 . . . . 0.0 111.016 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.462 ' C ' ' O ' ' A' ' 35' ' ' PRO . 33.6 mt -35.47 -51.53 0.62 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.252 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.58 ' CE1' ' HB3' ' A' ' 44' ' ' LEU . 2.7 m-85 -52.92 -51.3 61.79 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 110.982 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.449 ' N ' ' O ' ' A' ' 35' ' ' PRO . 0.2 OUTLIER -49.49 -40.31 36.96 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.507 1.129 . . . . 0.0 110.281 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -71.58 -30.08 65.44 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.511 1.132 . . . . 0.0 109.97 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 37' ' ' PHE . 24.4 m-70 -128.13 71.8 1.39 Allowed 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.511 1.132 . . . . 0.0 109.61 -179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.3 m -81.3 -9.67 11.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.463 1.102 . . . . 0.0 109.323 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 17.2 mm-40 -93.35 -11.96 31.11 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.422 1.076 . . . . 0.0 110.326 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.422 ' HA ' ' HB2' ' A' ' 81' ' ' LYS . 14.3 m-20 -118.93 -50.16 2.39 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.485 1.116 . . . . 0.0 109.331 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.58 ' HB3' ' CE1' ' A' ' 37' ' ' PHE . 49.6 mt -108.37 112.34 24.72 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.546 1.153 . . . . 0.0 109.349 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . . . . . . . . . 47.9 p90 -167.74 157.21 10.03 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.744 HG21 ' CE1' ' A' ' 55' ' ' PHE . 27.7 t -98.64 145.0 10.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.5 1.125 . . . . 0.0 109.29 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.425 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 3.9 mt-10 -132.25 179.66 5.98 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.579 1.174 . . . . 0.0 110.304 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.05 1.8 69.73 Favored Glycine 0 CA--C 1.529 0.944 0 O-C-N 124.5 1.125 . . . . 0.0 111.083 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.572 HD13 ' O ' ' A' ' 54' ' ' PRO . 50.5 mt -67.16 153.13 95.23 Favored Pre-proline 0 C--N 1.325 -0.457 0 O-C-N 124.444 0.732 . . . . 0.0 109.332 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.92 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.4 Cg_endo -75.0 -179.99 5.53 Favored 'Trans proline' 0 C--N 1.359 1.123 0 O-C-N 124.574 1.829 . . . . 0.0 111.009 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.26 139.78 37.8 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.539 1.149 . . . . 0.0 110.209 -179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.422 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 69.32 28.87 72.16 Favored Glycine 0 CA--C 1.529 0.942 0 O-C-N 124.538 1.149 . . . . 0.0 111.045 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.92 HD12 ' HG2' ' A' ' 50' ' ' PRO . 7.4 mt -150.72 97.3 3.28 Favored Pre-proline 0 C--N 1.326 -0.444 0 O-C-N 124.446 0.733 . . . . 0.0 109.31 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.572 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -74.98 -161.39 0.12 Allowed 'Trans proline' 0 C--N 1.36 1.139 0 O-C-N 124.484 1.781 . . . . 0.0 111.009 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.744 ' CE1' HG21 ' A' ' 46' ' ' VAL . 9.4 t80 -109.34 79.66 1.24 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.486 1.116 . . . . 0.0 110.976 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 57' ' ' ARG . 4.6 mmt-85 -129.9 165.2 22.55 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.42 1.075 . . . . 0.0 110.354 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.426 ' C ' ' O ' ' A' ' 56' ' ' ARG . 10.1 mtm180 -36.71 131.04 0.69 Allowed Pre-proline 0 C--N 1.324 -0.513 0 O-C-N 124.54 1.15 . . . . 0.0 110.262 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.501 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.3 Cg_endo -75.02 1.42 7.77 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.501 1.79 . . . . 0.0 111.019 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.465 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 0.7 OUTLIER -97.57 6.86 47.46 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.532 1.145 . . . . 0.0 109.963 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 25.2 p -120.84 -6.3 9.6 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.515 1.134 . . . . 0.0 110.328 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.429 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 9.6 m-85 -86.5 153.74 21.63 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.516 1.135 . . . . 0.0 111.064 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.401 ' C ' ' HD2' ' A' ' 64' ' ' PRO . . . -74.7 164.53 54.61 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.496 1.123 . . . . 0.0 111.036 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.647 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 4.9 mt -56.68 -43.87 99.53 Favored Pre-proline 0 C--N 1.326 -0.453 0 O-C-N 124.53 0.782 . . . . 0.0 109.331 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.647 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.6 Cg_endo -74.99 -33.44 4.59 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.494 1.786 . . . . 0.0 110.989 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . . . . . . . . . 1.6 mtt180 -64.58 -40.39 95.44 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.517 1.136 . . . . 0.0 110.224 -179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 75.1 mt -66.23 -53.1 41.14 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.446 1.091 . . . . 0.0 109.34 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 7.0 mt-10 -39.78 -57.41 1.56 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.437 1.085 . . . . 0.0 110.284 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.407 ' O ' ' N ' ' A' ' 71' ' ' LEU . 7.5 mtt-85 -50.97 -51.35 53.55 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 1.114 . . . . 0.0 110.27 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.56 HD11 ' CG2' ' A' ' 53' ' ' ILE . 92.3 mt -50.73 -31.3 9.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 O-C-N 124.545 1.153 . . . . 0.0 109.278 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.916 HD11 ' HB2' ' A' ' 11' ' ' GLN . 38.5 mt -81.98 -29.27 32.21 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.523 1.14 . . . . 0.0 109.269 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.407 ' N ' ' O ' ' A' ' 68' ' ' ARG . 75.1 mt -80.4 -15.88 55.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 109.332 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.49 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -103.19 -3.49 25.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.583 1.177 . . . . 0.0 109.279 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.433 ' HB2' ' CD1' ' A' ' 15' ' ' LEU . 0.0 OUTLIER -45.7 -40.18 8.95 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.497 1.123 . . . . 0.0 109.236 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -55.96 -30.65 62.06 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.099 . . . . 0.0 110.25 -179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.49 ' N ' ' O ' ' A' ' 72' ' ' ALA . 1.0 OUTLIER -97.32 -36.63 10.33 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.507 1.129 . . . . 0.0 110.263 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.823 HD12 HD21 ' A' ' 15' ' ' LEU . 17.3 mt -38.81 144.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.549 1.155 . . . . 0.0 109.322 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.418 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 3.8 ttt85 -162.38 145.66 11.53 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.396 1.06 . . . . 0.0 110.316 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.564 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 3.8 m-85 -112.82 111.5 22.31 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.448 1.093 . . . . 0.0 110.94 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.47 HG12 ' HD2' ' A' ' 81' ' ' LYS . 18.3 t -92.54 109.75 21.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.466 1.104 . . . . 0.0 109.318 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.458 ' HA ' HD23 ' A' ' 44' ' ' LEU . 7.0 mm -104.18 54.63 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.586 1.179 . . . . 0.0 109.249 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.47 ' HD2' HG12 ' A' ' 79' ' ' VAL . 5.7 mttp -39.63 -59.22 1.16 Allowed 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.479 1.112 . . . . 0.0 109.28 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.789 ' CB ' HD12 ' A' ' 85' ' ' LEU . 0.0 OUTLIER -94.45 112.98 24.77 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.507 1.129 . . . . 0.0 109.261 -179.956 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.719 ' CE1' HG22 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -87.74 -49.59 7.03 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.546 1.154 . . . . 0.0 109.636 179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 13.2 pt-20 -50.29 -37.33 35.76 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.789 HD12 ' CB ' ' A' ' 82' ' ' LYS . 14.5 mt -44.76 -43.42 8.54 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 109.319 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.681 HD22 ' OH ' ' A' ' 20' ' ' TYR . 14.8 mt -64.44 -61.21 2.36 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 109.294 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 63.97 91.82 0.07 Allowed 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.468 1.105 . . . . 0.0 109.337 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -179.27 87.57 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.513 1.133 . . . . 0.0 109.976 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.555 ' O ' HG23 ' A' ' 89' ' ' THR . 8.8 t -147.11 58.87 1.17 Allowed 'General case' 0 C--N 1.324 -0.521 0 O-C-N 124.466 1.104 . . . . 0.0 110.499 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.14 125.66 12.44 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.493 1.12 . . . . 0.0 110.281 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 179.03 169.96 0.92 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.423 1.077 . . . . 0.0 110.28 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 23.4 p-10 -130.87 93.44 3.41 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.441 1.088 . . . . 0.0 109.271 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 9.4 tp -172.09 102.96 0.17 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.393 1.058 . . . . 0.0 109.236 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -130.57 136.27 48.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.51 1.131 . . . . 0.0 110.025 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . 115.24 98.45 2.19 Favored Glycine 0 CA--C 1.529 0.921 0 O-C-N 124.516 1.135 . . . . 0.0 111.041 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 164.95 32.3 Favored 'Trans proline' 0 C--N 1.36 1.137 0 O-C-N 124.421 1.748 . . . . 0.0 110.987 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 4.2 m -138.15 123.23 19.12 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.484 1.115 . . . . 0.0 109.975 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -169.3 81.63 0.13 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.484 1.115 . . . . 0.0 110.042 179.907 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 O-C-N 124.493 1.121 . . . . 0.0 111.05 -179.971 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.027 0 N-CA-C 111.041 -0.824 . . . . 0.0 111.041 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -164.19 158.07 18.66 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.537 0.787 . . . . 0.0 110.01 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -169.01 152.06 5.03 Favored 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.494 1.121 . . . . 0.0 110.004 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 101.51 166.43 27.47 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.454 1.096 . . . . 0.0 110.988 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 35.0 p -128.11 169.52 14.0 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.53 0.783 . . . . 0.0 110.048 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -156.48 -51.58 0.08 Allowed 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.496 1.122 . . . . 0.0 110.002 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -127.8 162.12 21.7 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.481 1.113 . . . . 0.0 110.964 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.711 HD22 HD12 ' A' ' 70' ' ' LEU . 62.7 mt -41.03 -64.54 0.53 Allowed 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.534 0.785 . . . . 0.0 109.268 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.492 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 1.9 ttm180 -39.15 -55.71 1.59 Allowed 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.499 1.125 . . . . 0.0 110.339 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -54.59 -44.45 73.03 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.498 1.124 . . . . 0.0 109.294 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.449 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.3 mt-30 -56.75 -48.86 76.87 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.465 1.103 . . . . 0.0 110.314 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.502 HG11 ' HB3' ' A' ' 58' ' ' PRO . 55.5 t -69.06 -48.95 66.74 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 O-C-N 124.507 1.13 . . . . 0.0 109.312 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . . . . . . . . . 31.1 mt-10 -46.81 -47.96 20.9 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.438 1.086 . . . . 0.0 110.363 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -70.9 -40.45 72.17 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.493 1.121 . . . . 0.0 110.296 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.735 HD21 HD12 ' A' ' 76' ' ' ILE . 1.8 tp -61.1 -59.6 5.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.503 1.127 . . . . 0.0 109.258 -179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 2.1 m-30 -38.61 -54.48 1.53 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 111.005 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 7.5 mt-10 -61.01 -50.38 73.61 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 110.342 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -40.18 -62.26 0.77 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.552 1.158 . . . . 0.0 110.353 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.566 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 38.4 mmtt -49.23 -56.89 7.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.591 ' OH ' HD13 ' A' ' 86' ' ' LEU . 58.9 t80 -52.26 -54.3 33.04 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 111.038 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.644 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -54.69 -41.74 70.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.552 1.158 . . . . 0.0 109.311 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 25.4 mm-40 -62.29 -39.32 92.58 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.127 . . . . 0.0 110.28 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.39 -19.03 63.0 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.548 1.155 . . . . 0.0 109.256 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.468 HG22 ' HE1' ' A' ' 83' ' ' HIS . 6.7 pt -121.04 8.54 6.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.532 1.145 . . . . 0.0 109.294 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.46 ' N ' ' O ' ' A' ' 21' ' ' ALA . 5.3 mmtt 52.04 59.31 4.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.485 1.116 . . . . 0.0 109.25 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.644 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -108.69 119.8 40.59 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.48 1.112 . . . . 0.0 109.294 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -93.69 29.51 2.02 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.571 1.169 . . . . 0.0 109.244 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.48 170.41 25.11 Favored Glycine 0 CA--C 1.531 1.052 0 O-C-N 124.505 1.128 . . . . 0.0 110.961 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.03 116.74 4.67 Favored 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.531 1.806 . . . . 0.0 110.994 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 25.3 m -112.58 165.65 7.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.562 1.164 . . . . 0.0 109.349 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -103.54 162.29 13.17 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.49 1.119 . . . . 0.0 110.358 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 43.8 mt -121.45 115.11 31.34 Favored Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.501 1.126 . . . . 0.0 109.355 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.46 ' HB2' ' HB2' ' A' ' 36' ' ' LEU . 18.5 Cg_endo -74.95 116.72 4.67 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.515 1.798 . . . . 0.0 111.036 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.751 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 17.7 m-85 -76.62 -33.03 1.11 Allowed Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 111.019 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.751 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.6 Cg_endo -74.97 -67.16 0.02 OUTLIER 'Trans proline' 0 C--N 1.36 1.172 0 O-C-N 124.489 1.784 . . . . 0.0 111.003 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.46 ' HB2' ' HB2' ' A' ' 33' ' ' PRO . 81.8 mt -39.02 -45.96 1.29 Allowed 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.451 1.094 . . . . 0.0 109.306 -179.947 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 10.8 m-85 -70.82 -40.16 72.61 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.508 1.13 . . . . 0.0 110.927 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.47 ' N ' ' O ' ' A' ' 35' ' ' PRO . 0.6 OUTLIER -65.96 -39.27 90.27 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.547 1.155 . . . . 0.0 110.313 -179.953 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -74.96 -27.99 60.4 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.498 1.124 . . . . 0.0 110.039 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 50.5 m-70 -125.18 70.54 1.17 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.56 1.162 . . . . 0.0 109.584 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 4.9 m -83.94 -6.18 10.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.519 1.137 . . . . 0.0 109.316 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 7.7 mt-10 -89.74 -22.13 22.34 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.407 1.067 . . . . 0.0 110.303 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.438 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 2.5 m-20 -111.78 -52.53 2.78 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.604 1.19 . . . . 0.0 109.272 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.724 HD13 HD21 ' A' ' 86' ' ' LEU . 62.6 mt -98.67 114.55 27.09 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.576 1.173 . . . . 0.0 109.325 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.501 ' CE1' ' HB ' ' A' ' 79' ' ' VAL . 11.6 p90 -161.9 149.84 14.8 Favored 'General case' 0 C--N 1.326 -0.422 0 O-C-N 124.563 1.165 . . . . 0.0 110.985 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.594 HG21 ' CE1' ' A' ' 55' ' ' PHE . 5.2 t -94.25 147.96 5.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.439 1.087 . . . . 0.0 109.319 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -132.38 179.57 6.04 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.544 1.153 . . . . 0.0 110.31 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.87 1.69 68.33 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.512 1.133 . . . . 0.0 111.015 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 54' ' ' PRO . 62.9 mt -69.32 152.94 96.33 Favored Pre-proline 0 C--N 1.324 -0.529 0 O-C-N 124.604 0.826 . . . . 0.0 109.363 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.942 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -74.99 175.22 11.52 Favored 'Trans proline' 0 C--N 1.361 1.195 0 O-C-N 124.549 1.815 . . . . 0.0 111.028 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -75.63 140.07 42.38 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.511 1.132 . . . . 0.0 110.278 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.418 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 69.54 29.2 71.61 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.539 1.149 . . . . 0.0 110.992 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.942 HD12 ' HG2' ' A' ' 50' ' ' PRO . 8.0 mt -150.91 96.25 3.34 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.494 0.761 . . . . 0.0 109.329 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.402 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.94 -160.11 0.1 OUTLIER 'Trans proline' 0 C--N 1.359 1.085 0 O-C-N 124.494 1.786 . . . . 0.0 110.992 -179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.594 ' CE1' HG21 ' A' ' 46' ' ' VAL . 16.5 t80 -110.98 88.57 2.82 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 1.146 . . . . 0.0 111.019 179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.484 ' N ' ' OH ' ' A' ' 61' ' ' TYR . 24.8 mmt-85 -139.11 165.83 26.1 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.512 1.133 . . . . 0.0 110.219 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 56' ' ' ARG . 2.8 mtt180 -37.04 125.69 0.81 Allowed Pre-proline 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 110.34 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.502 ' HB3' HG11 ' A' ' 12' ' ' VAL . 18.4 Cg_endo -75.0 1.37 7.82 Favored 'Trans proline' 0 C--N 1.36 1.165 0 O-C-N 124.538 1.81 . . . . 0.0 111.028 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.492 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 9.3 p -93.39 8.01 42.2 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.514 1.134 . . . . 0.0 110.001 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 4.3 p -119.86 -34.78 3.65 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.419 1.074 . . . . 0.0 110.4 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.597 ' HB2' HD21 ' A' ' 66' ' ' LEU . 11.4 m-85 -53.56 158.39 1.84 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.463 1.102 . . . . 0.0 110.997 179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . 0.412 ' C ' ' HD2' ' A' ' 64' ' ' PRO . . . -79.58 164.7 49.22 Favored Glycine 0 CA--C 1.529 0.935 0 O-C-N 124.461 1.101 . . . . 0.0 110.976 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.656 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 2.3 mp -56.97 -43.44 99.4 Favored Pre-proline 0 C--N 1.326 -0.416 0 O-C-N 124.437 0.728 . . . . 0.0 109.266 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.656 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.0 -35.62 3.03 Favored 'Trans proline' 0 C--N 1.359 1.127 0 O-C-N 124.512 1.796 . . . . 0.0 111.047 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.602 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.1 OUTLIER -64.15 -39.72 94.62 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.531 1.144 . . . . 0.0 110.308 179.975 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.597 HD21 ' HB2' ' A' ' 61' ' ' TYR . 71.2 mt -65.22 -54.28 31.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.497 1.123 . . . . 0.0 109.316 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -38.79 -57.81 1.16 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.477 1.111 . . . . 0.0 110.256 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.439 ' O ' ' N ' ' A' ' 72' ' ' ALA . 4.1 mtp180 -49.53 -52.22 31.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.446 1.091 . . . . 0.0 110.233 -179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.568 HD11 ' CG2' ' A' ' 53' ' ' ILE . 86.6 mt -51.09 -30.86 10.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.506 1.129 . . . . 0.0 109.353 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.711 HD12 HD22 ' A' ' 8' ' ' LEU . 82.5 mt -82.22 -31.4 30.29 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.561 1.163 . . . . 0.0 109.275 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . . . . . . . . . 69.9 mt -78.01 -23.89 48.1 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.537 1.148 . . . . 0.0 109.299 179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.482 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -95.4 -3.7 46.56 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.533 1.146 . . . . 0.0 109.288 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.511 ' HB2' HD11 ' A' ' 15' ' ' LEU . 2.0 ptmt -43.27 -42.86 4.58 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.397 1.061 . . . . 0.0 109.268 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 8.9 mt-10 -52.56 -36.97 56.89 Favored 'General case' 0 C--N 1.324 -0.53 0 O-C-N 124.55 1.156 . . . . 0.0 110.301 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.482 ' N ' ' O ' ' A' ' 72' ' ' ALA . 2.3 mtm-85 -90.32 -38.8 13.12 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.511 1.132 . . . . 0.0 110.279 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.735 HD12 HD21 ' A' ' 15' ' ' LEU . 12.8 mt -37.18 141.84 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.424 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 1.9 ttp180 -161.76 144.23 11.76 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.513 1.133 . . . . 0.0 110.269 -179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.566 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 6.4 m-85 -109.48 110.32 21.4 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 111.011 179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.501 ' HB ' ' CE1' ' A' ' 45' ' ' TYR . 31.7 t -88.91 136.8 22.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.494 HD13 ' O ' ' A' ' 79' ' ' VAL . 3.6 mm -125.04 77.12 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.442 1.089 . . . . 0.0 109.291 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.438 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 0.0 OUTLIER -60.03 -43.18 95.5 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.447 1.092 . . . . 0.0 109.291 179.987 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.949 ' CB ' HD12 ' A' ' 85' ' ' LEU . 0.3 OUTLIER -114.12 114.7 26.43 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.484 1.115 . . . . 0.0 109.307 -179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.468 ' HE1' HG22 ' A' ' 24' ' ' ILE . 0.7 OUTLIER -84.26 -53.62 5.36 Favored 'General case' 0 C--N 1.326 -0.425 0 O-C-N 124.439 1.087 . . . . 0.0 109.615 -179.994 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -44.55 -43.19 7.85 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.515 1.134 . . . . 0.0 110.286 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.949 HD12 ' CB ' ' A' ' 82' ' ' LYS . 16.3 mt -46.24 -36.59 6.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.429 1.08 . . . . 0.0 109.2 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.724 HD21 HD13 ' A' ' 44' ' ' LEU . 23.9 mt -93.92 53.59 1.82 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.523 1.14 . . . . 0.0 109.288 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 17.5 p30 -100.37 100.64 11.45 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 109.283 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -169.45 48.79 0.03 OUTLIER 'General case' 0 C--N 1.323 -0.557 0 O-C-N 124.579 1.174 . . . . 0.0 110.052 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 16.9 p -95.17 71.37 3.29 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.525 1.141 . . . . 0.0 110.404 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -154.63 136.59 14.61 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.481 1.113 . . . . 0.0 110.312 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 53.54 94.6 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.568 1.167 . . . . 0.0 110.256 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -160.78 92.42 0.94 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.464 1.102 . . . . 0.0 109.326 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -173.86 153.54 2.19 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.476 1.11 . . . . 0.0 109.295 -179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 89.6 p -174.8 132.62 0.34 Allowed 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.509 1.13 . . . . 0.0 110.053 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -167.55 95.87 0.12 Allowed Glycine 0 CA--C 1.529 0.923 0 O-C-N 124.53 1.144 . . . . 0.0 111.032 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.94 108.92 2.83 Favored 'Trans proline' 0 C--N 1.361 1.229 0 O-C-N 124.462 1.77 . . . . 0.0 110.991 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 12.6 t -179.91 -58.78 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.53 1.144 . . . . 0.0 109.954 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 42.2 p -167.32 142.87 4.08 Favored 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.421 1.076 . . . . 0.0 110.006 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.03 0 O-C-N 124.537 1.148 . . . . 0.0 110.955 -179.992 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.035 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.71 112.69 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.445 0.732 . . . . 0.0 110.02 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -155.03 -58.58 0.11 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.97 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -120.86 -71.57 0.3 Allowed Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.58 1.175 . . . . 0.0 111.047 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 64.38 156.92 0.08 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.502 0.766 . . . . 0.0 110.017 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m 59.74 101.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.49 1.119 . . . . 0.0 110.041 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 148.4 101.44 0.26 Allowed Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.397 1.061 . . . . 0.0 111.017 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.844 HD22 HD12 ' A' ' 70' ' ' LEU . 47.3 mt -40.91 -59.87 1.33 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.559 0.799 . . . . 0.0 109.302 179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.495 ' CD ' ' HA ' ' A' ' 59' ' ' SER . 3.2 ttm180 -43.71 -50.19 7.66 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.476 1.11 . . . . 0.0 110.277 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -60.94 -47.58 85.79 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.478 1.111 . . . . 0.0 109.242 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.595 ' HB2' HD11 ' A' ' 70' ' ' LEU . 3.1 mt-30 -52.84 -41.09 63.91 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 48.7 t -74.71 -47.07 39.85 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.496 1.123 . . . . 0.0 109.298 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.402 ' O ' ' CD ' ' A' ' 17' ' ' GLU . 59.2 mt-10 -53.0 -49.76 65.55 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.455 1.097 . . . . 0.0 110.336 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 8.9 mm-40 -67.87 -37.39 81.76 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.478 1.111 . . . . 0.0 110.299 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.832 HD21 HD12 ' A' ' 76' ' ' ILE . 0.8 OUTLIER -62.89 -53.49 53.31 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.541 1.151 . . . . 0.0 109.263 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.435 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 3.4 m-30 -44.44 -58.4 2.99 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.478 1.111 . . . . 0.0 111.008 179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.402 ' CD ' ' O ' ' A' ' 13' ' ' GLU . 2.0 mp0 -57.17 -47.51 81.02 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 110.292 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.41 -62.94 1.14 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.53 1.144 . . . . 0.0 110.238 -179.907 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.516 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 41.0 mmtt -45.28 -55.82 5.5 Favored 'General case' 0 C--N 1.326 -0.42 0 O-C-N 124.444 1.09 . . . . 0.0 109.406 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.664 ' OH ' HD22 ' A' ' 86' ' ' LEU . 61.6 t80 -54.65 -54.54 40.24 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.514 1.134 . . . . 0.0 110.984 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.458 ' O ' ' N ' ' A' ' 25' ' ' LYS . . . -52.04 -40.77 61.58 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.531 1.144 . . . . 0.0 109.308 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 10.9 mm100 -63.65 -38.43 91.08 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.532 1.145 . . . . 0.0 110.266 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -62.3 -29.87 70.74 Favored 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.531 1.144 . . . . 0.0 109.347 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . . . . . . . . . 5.6 pt -107.99 6.02 9.59 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.561 1.163 . . . . 0.0 109.303 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.458 ' N ' ' O ' ' A' ' 21' ' ' ALA . 29.2 mmtt 53.18 60.85 3.47 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.44 1.087 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.428 ' HB3' ' HB1' ' A' ' 21' ' ' ALA . . . -112.65 124.47 52.62 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.593 1.183 . . . . 0.0 109.306 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.4 mttt -94.53 28.48 2.59 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.388 1.055 . . . . 0.0 109.309 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -142.1 170.31 25.01 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.458 1.099 . . . . 0.0 110.996 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 117.71 5.0 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.511 1.795 . . . . 0.0 110.966 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.0 m -112.68 164.32 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.126 . . . . 0.0 109.282 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 37.6 m -103.51 140.94 36.83 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.49 1.118 . . . . 0.0 110.393 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.435 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 43.5 mt -93.95 123.06 60.53 Favored Pre-proline 0 C--N 1.324 -0.511 0 O-C-N 124.554 1.159 . . . . 0.0 109.313 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.459 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.5 Cg_endo -74.99 104.23 1.87 Allowed 'Trans proline' 0 C--N 1.361 1.224 0 O-C-N 124.515 1.797 . . . . 0.0 111.089 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.744 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 3.9 m-30 -75.63 -34.84 1.63 Allowed Pre-proline 0 C--N 1.326 -0.447 0 O-C-N 124.55 1.156 . . . . 0.0 111.015 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.744 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.3 Cg_endo -74.97 -65.58 0.03 OUTLIER 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.463 1.77 . . . . 0.0 111.008 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.487 HD13 ' O ' ' A' ' 85' ' ' LEU . 13.9 mt -40.09 -47.81 2.38 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.467 1.105 . . . . 0.0 109.327 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.575 ' O ' HG13 ' A' ' 41' ' ' VAL . 3.6 m-85 -58.13 -49.43 77.01 Favored 'General case' 0 C--N 1.324 -0.539 0 O-C-N 124.515 1.134 . . . . 0.0 110.994 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -54.57 -43.45 72.1 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.411 1.07 . . . . 0.0 110.322 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -73.32 -33.48 65.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.436 1.085 . . . . 0.0 109.996 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -123.89 67.97 1.04 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.481 1.113 . . . . 0.0 109.597 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.575 HG13 ' O ' ' A' ' 37' ' ' PHE . 10.1 m -81.38 -8.61 11.48 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.501 1.125 . . . . 0.0 109.299 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -94.14 -10.23 33.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.535 1.147 . . . . 0.0 110.259 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 60.7 m-20 -113.01 -44.06 3.32 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.564 1.165 . . . . 0.0 109.265 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.698 HD21 ' O ' ' A' ' 82' ' ' LYS . 8.2 mt -116.39 122.24 44.26 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.503 1.127 . . . . 0.0 109.299 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.65 ' OH ' HG11 ' A' ' 79' ' ' VAL . 31.1 p90 -162.3 153.96 18.45 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.526 1.141 . . . . 0.0 111.03 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.722 HG21 ' CE1' ' A' ' 55' ' ' PHE . 21.3 t -97.21 133.56 38.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.427 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 3.5 mt-10 -120.55 -179.55 4.01 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.476 1.11 . . . . 0.0 110.338 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.46 2.02 67.06 Favored Glycine 0 CA--C 1.529 0.934 0 O-C-N 124.553 1.158 . . . . 0.0 111.048 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.4 HD13 ' O ' ' A' ' 54' ' ' PRO . 35.2 mt -68.66 152.55 96.63 Favored Pre-proline 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.75 . . . . 0.0 109.277 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.913 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.2 Cg_endo -75.08 -177.44 3.48 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.401 1.737 . . . . 0.0 110.986 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -82.52 138.13 34.4 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.503 1.127 . . . . 0.0 110.242 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.409 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 70.2 29.87 70.04 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.413 1.071 . . . . 0.0 110.925 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.913 HD12 ' HG2' ' A' ' 50' ' ' PRO . 8.2 mt -150.29 95.33 3.58 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.475 0.75 . . . . 0.0 109.3 179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.4 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.3 Cg_endo -75.04 -161.96 0.14 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.472 1.775 . . . . 0.0 110.997 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.722 ' CE1' HG21 ' A' ' 46' ' ' VAL . 18.4 t80 -109.49 88.34 2.72 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.521 1.138 . . . . 0.0 110.99 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.47 ' O ' ' C ' ' A' ' 57' ' ' ARG . 17.0 mmt85 -140.21 166.36 24.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.465 1.103 . . . . 0.0 110.278 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.47 ' C ' ' O ' ' A' ' 56' ' ' ARG . 0.6 OUTLIER -33.61 120.14 0.48 Allowed Pre-proline 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.351 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.566 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.3 Cg_endo -74.96 1.28 7.89 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.454 1.766 . . . . 0.0 110.984 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.495 ' HA ' ' CD ' ' A' ' 9' ' ' ARG . 1.2 p -96.97 4.5 51.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.113 . . . . 0.0 110.006 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -121.32 -6.02 9.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 110.431 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.746 ' HB2' HD21 ' A' ' 66' ' ' LEU . 4.9 m-85 -78.65 160.92 27.28 Favored 'General case' 0 C--N 1.326 -0.431 0 O-C-N 124.461 1.1 . . . . 0.0 111.072 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -77.0 163.23 52.21 Favored Glycine 0 CA--C 1.531 1.033 0 O-C-N 124.529 1.143 . . . . 0.0 110.982 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.648 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 41.2 mt -58.09 -43.87 98.79 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.474 0.749 . . . . 0.0 109.27 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.648 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.4 Cg_endo -75.01 -33.2 4.75 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.469 1.773 . . . . 0.0 110.964 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.487 ' HD3' HG23 ' A' ' 53' ' ' ILE . 2.4 mtt180 -62.83 -42.28 99.67 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.538 1.149 . . . . 0.0 110.304 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.746 HD21 ' HB2' ' A' ' 61' ' ' TYR . 94.1 mt -65.41 -55.07 20.09 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.49 1.119 . . . . 0.0 109.279 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.3 mt-10 -38.02 -55.65 1.23 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.544 1.152 . . . . 0.0 110.312 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.435 ' O ' ' N ' ' A' ' 71' ' ' LEU . 6.3 mtp180 -53.14 -54.14 40.09 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.562 1.164 . . . . 0.0 110.302 -179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.474 HD11 ' CG2' ' A' ' 53' ' ' ILE . 93.1 mt -47.35 -34.08 3.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.513 1.133 . . . . 0.0 109.331 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.844 HD12 HD22 ' A' ' 8' ' ' LEU . 71.3 mt -77.68 -35.48 52.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.418 1.073 . . . . 0.0 109.276 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.435 ' N ' ' O ' ' A' ' 68' ' ' ARG . 82.2 mt -74.21 -21.22 59.9 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.471 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -97.55 -5.06 36.55 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.54 1.15 . . . . 0.0 109.228 -179.911 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.502 ' HB2' HD11 ' A' ' 15' ' ' LEU . 1.3 ptmt -43.53 -48.9 7.49 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -48.81 -33.1 9.81 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.514 1.134 . . . . 0.0 110.281 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.471 ' N ' ' O ' ' A' ' 72' ' ' ALA . 1.8 mtm180 -93.15 -38.22 11.69 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.577 1.173 . . . . 0.0 110.315 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.832 HD12 HD21 ' A' ' 15' ' ' LEU . 14.7 mt -38.62 141.15 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.433 1.083 . . . . 0.0 109.296 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.442 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 8.4 ttt180 -163.5 144.0 8.89 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.542 1.151 . . . . 0.0 110.281 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.516 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 7.2 m-85 -108.2 111.7 23.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.531 1.144 . . . . 0.0 111.035 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.65 HG11 ' OH ' ' A' ' 45' ' ' TYR . 24.4 t -91.56 108.69 20.27 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 O-C-N 124.549 1.156 . . . . 0.0 109.286 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . 0.61 HG21 HD11 ' A' ' 86' ' ' LEU . 7.0 mm -101.34 82.49 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.469 1.105 . . . . 0.0 109.281 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.03 -60.89 3.07 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.575 1.172 . . . . 0.0 109.337 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.855 ' HB2' HD12 ' A' ' 85' ' ' LEU . 4.2 mmtt -101.7 118.57 37.2 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.102 . . . . 0.0 109.324 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -83.11 -53.93 5.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.506 1.129 . . . . 0.0 109.543 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -47.63 -39.0 15.84 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.435 1.085 . . . . 0.0 110.361 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.855 HD12 ' HB2' ' A' ' 82' ' ' LYS . 14.0 mt -48.71 -40.54 28.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.519 1.137 . . . . 0.0 109.306 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.664 HD22 ' OH ' ' A' ' 20' ' ' TYR . 22.8 mt -55.29 -38.09 68.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.515 1.134 . . . . 0.0 109.289 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 4.4 m-80 -74.91 130.26 39.09 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.517 1.136 . . . . 0.0 109.368 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.407 ' O ' ' C ' ' A' ' 89' ' ' THR . 0.2 OUTLIER -171.27 104.79 0.22 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.501 1.126 . . . . 0.0 109.946 -179.955 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . 0.426 ' C ' ' N ' ' A' ' 91' ' ' GLU . 6.2 t 38.16 53.15 1.66 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.506 1.129 . . . . 0.0 110.431 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 5.2 tmm_? -40.45 -28.71 0.07 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.3 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . 0.426 ' N ' ' C ' ' A' ' 89' ' ' THR . 0.4 OUTLIER -104.96 104.06 13.73 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.461 1.101 . . . . 0.0 110.337 179.95 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 2.2 p30 -146.71 144.86 29.73 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.583 1.177 . . . . 0.0 109.269 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.401 HD23 ' O ' ' A' ' 93' ' ' LEU . 0.7 OUTLIER -159.53 83.63 0.76 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.446 1.091 . . . . 0.0 109.261 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.5 t -149.21 129.5 13.73 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.575 1.172 . . . . 0.0 109.975 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -44.86 108.46 0.2 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.581 1.175 . . . . 0.0 111.06 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 111.9 3.43 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.473 1.775 . . . . 0.0 111.015 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -162.37 83.16 0.54 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.554 1.159 . . . . 0.0 109.957 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 34.6 p -108.93 155.49 20.79 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 110.019 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.961 0 O-C-N 124.56 1.162 . . . . 0.0 111.014 179.95 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.0 t -119.21 102.9 9.04 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.47 0.747 . . . . 0.0 109.977 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 91.0 p -96.25 123.28 39.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.509 1.13 . . . . 0.0 110.02 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.02 -116.45 1.16 Allowed Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.525 1.14 . . . . 0.0 110.993 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.8 m 63.29 111.78 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.565 0.803 . . . . 0.0 110.058 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.6 m 63.32 148.42 0.03 OUTLIER 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.508 1.13 . . . . 0.0 109.986 -179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 142.77 97.13 0.26 Allowed Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.494 1.121 . . . . 0.0 110.989 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' LEU . . . . . 0.563 ' CD2' HD12 ' A' ' 70' ' ' LEU . 19.5 mt -45.45 -60.84 1.94 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.459 0.741 . . . . 0.0 109.215 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.476 ' HD3' ' CB ' ' A' ' 59' ' ' SER . 1.1 ttm180 -41.2 -44.94 2.72 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.125 . . . . 0.0 110.302 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.9 tptp -64.72 -44.23 90.87 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.532 1.145 . . . . 0.0 109.382 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLN . . . . . 0.562 ' HB2' HD11 ' A' ' 70' ' ' LEU . 4.7 mt-30 -56.61 -44.82 81.51 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.535 1.147 . . . . 0.0 110.275 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.447 ' CG1' ' HB3' ' A' ' 58' ' ' PRO . 46.6 t -74.75 -42.34 47.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.525 1.141 . . . . 0.0 109.319 -179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' GLU . . . . . 0.42 ' CG ' ' HG2' ' A' ' 58' ' ' PRO . 59.6 mt-10 -55.98 -49.01 74.79 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 110.256 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -69.61 -40.53 76.58 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.589 1.181 . . . . 0.0 110.291 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.756 HD21 HD12 ' A' ' 76' ' ' ILE . 7.1 tp -60.06 -50.2 74.64 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.448 1.092 . . . . 0.0 109.312 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.483 ' HB3' ' CD1' ' A' ' 32' ' ' ILE . 2.5 m-30 -48.24 -63.1 1.17 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 110.938 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . 0.4 ' N ' HD11 ' A' ' 32' ' ' ILE . 2.4 mt-10 -49.74 -49.0 49.75 Favored 'General case' 0 C--N 1.324 -0.529 0 O-C-N 124.556 1.16 . . . . 0.0 110.291 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -43.08 -66.68 0.35 Allowed 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.504 1.127 . . . . 0.0 110.292 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . 0.47 ' HB2' ' CD1' ' A' ' 78' ' ' PHE . 35.7 mmtt -41.88 -60.56 1.35 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.486 1.116 . . . . 0.0 109.247 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' TYR . . . . . 0.593 ' OH ' HD22 ' A' ' 86' ' ' LEU . 50.7 t80 -49.96 -49.43 50.29 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.498 1.124 . . . . 0.0 110.994 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.474 ' HB1' ' HB3' ' A' ' 26' ' ' ALA . . . -59.36 -40.44 86.47 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 109.302 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLN . . . . . . . . . . . . . 3.1 mt-30 -60.51 -44.27 96.18 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 110.273 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ALA . . . . . . . . . . . . . . . -57.97 -31.04 66.51 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.467 1.104 . . . . 0.0 109.296 -179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ILE . . . . . 0.764 HG22 ' NE2' ' A' ' 83' ' ' HIS . 3.9 pt -110.03 16.11 7.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.575 1.172 . . . . 0.0 109.31 179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.454 ' N ' ' O ' ' A' ' 21' ' ' ALA . 6.2 mtmt 40.7 60.67 1.86 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.504 1.128 . . . . 0.0 109.286 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ALA . . . . . 0.494 ' HB2' HG13 ' A' ' 24' ' ' ILE . . . -106.6 121.72 44.89 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.512 1.132 . . . . 0.0 109.324 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -93.83 29.65 2.02 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -143.25 170.05 25.58 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.581 1.176 . . . . 0.0 110.989 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.92 116.82 4.71 Favored 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.494 1.786 . . . . 0.0 111.024 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.5 m -112.14 164.41 8.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.477 1.111 . . . . 0.0 109.339 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' THR . . . . . . . . . . . . . 98.2 m -103.34 144.55 31.21 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.538 1.149 . . . . 0.0 110.397 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.483 ' CD1' ' HB3' ' A' ' 16' ' ' PHE . 21.4 mt -98.31 120.43 59.55 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.548 1.155 . . . . 0.0 109.3 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.454 ' O ' ' CD1' ' A' ' 37' ' ' PHE . 18.3 Cg_endo -74.97 107.3 2.45 Favored 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.522 1.801 . . . . 0.0 111.022 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' TYR . . . . . 0.715 ' N ' ' CD ' ' A' ' 35' ' ' PRO . 11.8 m-85 -80.02 -37.08 1.06 Allowed Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.435 1.084 . . . . 0.0 110.977 -179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PRO . . . . . 0.715 ' CD ' ' N ' ' A' ' 34' ' ' TYR . 18.5 Cg_endo -75.01 -69.45 0.02 OUTLIER 'Trans proline' 0 C--N 1.359 1.081 0 O-C-N 124.528 1.804 . . . . 0.0 111.011 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.456 ' C ' ' O ' ' A' ' 35' ' ' PRO . 34.3 mt -35.59 -51.9 0.65 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.517 1.136 . . . . 0.0 109.244 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' A' ' 44' ' ' LEU . 2.1 m-85 -52.04 -51.31 58.31 Favored 'General case' 0 C--N 1.324 -0.538 0 O-C-N 124.504 1.128 . . . . 0.0 110.991 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLN . . . . . 0.435 ' N ' ' O ' ' A' ' 35' ' ' PRO . 6.1 mm-40 -54.01 -37.45 64.07 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.502 1.126 . . . . 0.0 110.264 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.26 -32.66 63.03 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 110.02 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' HIS . . . . . 0.488 ' NE2' HD22 ' A' ' 85' ' ' LEU . 32.5 m-70 -127.13 67.69 1.28 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.553 1.158 . . . . 0.0 109.611 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.415 HG13 ' O ' ' A' ' 37' ' ' PHE . 11.9 m -79.81 -11.28 12.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.484 1.115 . . . . 0.0 109.335 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' GLU . . . . . . . . . . . . . 23.5 mt-10 -85.3 -13.8 48.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.448 1.092 . . . . 0.0 110.33 179.92 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . 0.462 ' CA ' ' HB2' ' A' ' 81' ' ' LYS . 8.5 m-20 -116.45 -59.64 1.95 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.456 1.098 . . . . 0.0 109.229 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LEU . . . . . 0.906 HD21 ' O ' ' A' ' 82' ' ' LYS . 10.9 mt -93.85 123.59 37.3 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 109.299 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' TYR . . . . . 0.859 ' OH ' HG11 ' A' ' 79' ' ' VAL . 43.0 p90 -169.76 157.04 6.68 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.516 1.135 . . . . 0.0 111.033 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' VAL . . . . . 0.871 HG21 ' CE1' ' A' ' 55' ' ' PHE . 55.5 t -102.22 138.53 26.14 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.133 . . . . 0.0 109.297 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLU . . . . . 0.421 ' O ' ' HA ' ' A' ' 76' ' ' ILE . 8.4 mt-10 -127.49 -178.04 4.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.482 1.114 . . . . 0.0 110.347 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.92 1.6 68.3 Favored Glycine 0 CA--C 1.53 1.02 0 O-C-N 124.481 1.113 . . . . 0.0 110.979 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.4 HD13 ' O ' ' A' ' 54' ' ' PRO . 65.5 mt -68.14 156.36 90.05 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.509 0.77 . . . . 0.0 109.296 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.941 ' HG2' HD12 ' A' ' 53' ' ' ILE . 18.0 Cg_endo -75.04 -169.29 0.61 Allowed 'Trans proline' 0 C--N 1.36 1.169 0 O-C-N 124.48 1.779 . . . . 0.0 110.97 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -89.19 137.38 32.37 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.449 1.093 . . . . 0.0 110.264 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' GLY . . . . . 0.4 ' C ' ' CG1' ' A' ' 53' ' ' ILE . . . 69.55 31.84 71.03 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.425 1.078 . . . . 0.0 110.913 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ILE . . . . . 0.941 HD12 ' HG2' ' A' ' 50' ' ' PRO . 11.1 mt -150.42 97.09 3.36 Favored Pre-proline 0 C--N 1.325 -0.462 0 O-C-N 124.455 0.738 . . . . 0.0 109.339 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PRO . . . . . 0.4 ' O ' HD13 ' A' ' 49' ' ' LEU . 18.4 Cg_endo -74.98 -163.36 0.18 Allowed 'Trans proline' 0 C--N 1.361 1.19 0 O-C-N 124.475 1.776 . . . . 0.0 110.974 -179.956 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PHE . . . . . 0.871 ' CE1' HG21 ' A' ' 46' ' ' VAL . 13.5 t80 -109.24 80.41 1.32 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.519 1.137 . . . . 0.0 111.098 179.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' ARG . . . . . 0.405 ' O ' ' C ' ' A' ' 57' ' ' ARG . 29.2 mmt-85 -130.22 165.43 22.41 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.569 1.168 . . . . 0.0 110.269 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.502 ' O ' HG22 ' A' ' 60' ' ' THR . 5.7 mtt180 -38.72 124.84 1.18 Allowed Pre-proline 0 C--N 1.325 -0.466 0 O-C-N 124.49 1.119 . . . . 0.0 110.295 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PRO . . . . . 0.602 ' HA ' ' CD2' ' A' ' 61' ' ' TYR . 18.2 Cg_endo -75.02 3.67 5.43 Favored 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.53 1.805 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' SER . . . . . 0.476 ' CB ' ' HD3' ' A' ' 9' ' ' ARG . 5.1 p -94.38 8.51 41.73 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.479 1.112 . . . . 0.0 109.994 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' THR . . . . . 0.502 HG22 ' O ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -132.9 7.31 4.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.463 1.102 . . . . 0.0 110.415 179.957 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' TYR . . . . . 0.602 ' CD2' ' HA ' ' A' ' 58' ' ' PRO . 3.1 m-30 -91.18 156.84 17.56 Favored 'General case' 0 C--N 1.324 -0.535 0 O-C-N 124.514 1.134 . . . . 0.0 110.959 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLY . . . . . . . . . . . . . . . -73.17 163.16 54.89 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.491 1.12 . . . . 0.0 111.049 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ILE . . . . . 0.64 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 5.1 mt -57.46 -44.24 99.46 Favored Pre-proline 0 C--N 1.324 -0.51 0 O-C-N 124.525 0.78 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.64 ' CD ' ' N ' ' A' ' 63' ' ' ILE . 18.5 Cg_endo -74.88 -33.74 4.52 Favored 'Trans proline' 0 C--N 1.361 1.186 0 O-C-N 124.502 1.79 . . . . 0.0 110.988 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ARG . . . . . 0.686 ' HD3' HG23 ' A' ' 53' ' ' ILE . 0.4 OUTLIER -62.49 -38.78 91.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 110.247 -179.95 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 82.1 mt -70.14 -48.95 55.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.324 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -48.06 -62.4 1.49 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.144 . . . . 0.0 110.319 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' ARG . . . . . 0.642 ' HD3' HD11 ' A' ' 53' ' ' ILE . 0.0 OUTLIER -42.66 -56.03 3.31 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.532 1.145 . . . . 0.0 110.259 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.731 HG23 HD11 ' A' ' 76' ' ' ILE . 77.8 mt -46.26 -46.75 6.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.349 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' LEU . . . . . 0.563 HD12 ' CD2' ' A' ' 8' ' ' LEU . 85.5 mt -61.83 -34.43 75.93 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.459 1.099 . . . . 0.0 109.28 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' LEU . . . . . 0.444 ' N ' ' O ' ' A' ' 68' ' ' ARG . 28.7 mt -80.24 -15.48 56.89 Favored 'General case' 0 C--N 1.326 -0.427 0 O-C-N 124.47 1.106 . . . . 0.0 109.331 179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' ALA . . . . . 0.484 ' O ' ' N ' ' A' ' 75' ' ' ARG . . . -100.96 -8.57 22.31 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.477 1.111 . . . . 0.0 109.315 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LYS . . . . . 0.559 ' HB2' HD11 ' A' ' 15' ' ' LEU . 2.0 ptmt -42.37 -51.59 4.84 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.487 1.117 . . . . 0.0 109.232 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -45.53 -32.72 2.37 Favored 'General case' 0 C--N 1.324 -0.528 0 O-C-N 124.523 1.139 . . . . 0.0 110.325 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.484 ' N ' ' O ' ' A' ' 72' ' ' ALA . 6.6 mtt180 -93.72 -39.09 10.96 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.515 1.134 . . . . 0.0 110.299 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.756 HD12 HD21 ' A' ' 15' ' ' LEU . 25.3 mt -38.65 143.9 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.45 1.094 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ARG . . . . . 0.419 ' HG3' ' N ' ' A' ' 78' ' ' PHE . 1.4 ttt-85 -160.82 145.53 14.06 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.3 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' PHE . . . . . 0.47 ' CD1' ' HB2' ' A' ' 19' ' ' LYS . 5.3 m-85 -112.28 113.84 26.29 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 1.098 . . . . 0.0 110.961 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' VAL . . . . . 0.859 HG11 ' OH ' ' A' ' 45' ' ' TYR . 21.2 t -94.34 103.47 14.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 O-C-N 124.539 1.149 . . . . 0.0 109.378 179.904 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ILE . . . . . . . . . . . . . 6.0 mm -95.11 63.54 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.521 1.138 . . . . 0.0 109.337 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LYS . . . . . 0.462 ' HB2' ' CA ' ' A' ' 43' ' ' ASP . 6.0 mttt -46.0 -60.77 2.07 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.536 1.148 . . . . 0.0 109.239 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' LYS . . . . . 0.906 ' O ' HD21 ' A' ' 44' ' ' LEU . 0.3 OUTLIER -100.21 115.07 29.02 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.451 1.095 . . . . 0.0 109.35 179.975 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.764 ' NE2' HG22 ' A' ' 24' ' ' ILE . 0.1 OUTLIER -86.76 -49.79 7.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.513 1.133 . . . . 0.0 109.56 -179.941 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLU . . . . . 0.415 ' C ' ' N ' ' A' ' 86' ' ' LEU . 10.2 pt-20 -48.88 -43.81 39.33 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.458 1.099 . . . . 0.0 110.263 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.766 HD12 ' CB ' ' A' ' 82' ' ' LYS . 12.6 mt -43.72 -27.67 0.34 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.305 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' LEU . . . . . 0.593 HD22 ' OH ' ' A' ' 20' ' ' TYR . 22.2 mt -68.15 -59.93 2.86 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.475 1.109 . . . . 0.0 109.301 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.1 t-20 42.38 85.32 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.487 1.117 . . . . 0.0 109.35 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 37.6 t -159.85 163.79 34.14 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.521 1.138 . . . . 0.0 109.985 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' THR . . . . . . . . . . . . . 81.0 p -126.86 -42.87 1.73 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.467 1.105 . . . . 0.0 110.415 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ARG . . . . . . . . . . . . . 1.7 tpm_? 48.56 86.9 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.421 1.075 . . . . 0.0 110.273 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' GLU . . . . . . . . . . . . . 12.3 pt-20 -109.27 136.55 48.55 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.502 1.126 . . . . 0.0 110.275 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASP . . . . . . . . . . . . . 33.0 t70 -166.13 139.75 4.23 Favored 'General case' 0 C--N 1.324 -0.534 0 O-C-N 124.445 1.091 . . . . 0.0 109.331 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -161.14 152.8 19.34 Favored 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.514 1.134 . . . . 0.0 109.321 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.1 m 64.25 123.61 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.486 1.116 . . . . 0.0 110.034 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLY . . . . . . . . . . . . . . . -129.54 100.17 0.49 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.452 1.095 . . . . 0.0 110.965 -179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.94 106.79 2.34 Favored 'Trans proline' 0 C--N 1.36 1.176 0 O-C-N 124.438 1.757 . . . . 0.0 111.026 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -176.41 122.85 0.16 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.506 1.129 . . . . 0.0 109.965 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 7.0 t -141.21 -58.52 0.49 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.523 1.139 . . . . 0.0 110.049 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.926 0 O-C-N 124.485 1.116 . . . . 0.0 111.032 -179.981 . . . . . . . . 0 0 . 1 stop_ save_